 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-24046.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24067.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0118545335 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.8384543272 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.20D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.987338531940    
 DIIS: error= 3.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.987338531940     IErMin= 1 ErrMin= 3.82D-03
 ErrMax= 3.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 GapD=    0.409 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.66D-03 MaxDP=2.60D-01              OVMax= 1.66D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.63D-03    CP:  1.03D+00
 E= -401.996381521720     Delta-E=       -0.009042989780 Rises=F Damp=F
 DIIS: error= 6.33D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.996381521720     IErMin= 2 ErrMin= 6.33D-04
 ErrMax= 6.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-04 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.33D-03
 Coeff-Com: -0.724D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.720D-02 0.101D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 RMSDP=7.03D-04 MaxDP=2.71D-02 DE=-9.04D-03 OVMax= 6.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.40D-04    CP:  1.03D+00  1.12D+00
 E= -401.996703368279     Delta-E=       -0.000321846559 Rises=F Damp=F
 DIIS: error= 6.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.996703368279     IErMin= 2 ErrMin= 6.33D-04
 ErrMax= 6.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-04 BMatP= 3.85D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.57D-03
 Coeff-Com: -0.475D-01 0.476D+00 0.572D+00
 Coeff-En:   0.000D+00 0.213D-01 0.979D+00
 Coeff:     -0.472D-01 0.473D+00 0.575D+00
 Gap=     0.404 Goal=   None    Shift=    0.000
 RMSDP=1.60D-04 MaxDP=1.17D-02 DE=-3.22D-04 OVMax= 2.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.03D+00  1.14D+00  1.08D+00
 E= -401.996905061904     Delta-E=       -0.000201693625 Rises=F Damp=F
 DIIS: error= 8.24D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.996905061904     IErMin= 4 ErrMin= 8.24D-05
 ErrMax= 8.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-06 BMatP= 2.92D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-01 0.694D-01 0.141D+00 0.803D+00
 Coeff:     -0.130D-01 0.694D-01 0.141D+00 0.803D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=6.05D-05 MaxDP=3.39D-03 DE=-2.02D-04 OVMax= 8.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.25D-05    CP:  1.03D+00  1.15D+00  1.16D+00  1.21D+00
 E= -401.996911861996     Delta-E=       -0.000006800092 Rises=F Damp=F
 DIIS: error= 4.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.996911861996     IErMin= 5 ErrMin= 4.25D-05
 ErrMax= 4.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 6.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-02-0.408D-01-0.388D-01 0.309D+00 0.768D+00
 Coeff:      0.197D-02-0.408D-01-0.388D-01 0.309D+00 0.768D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=2.42D-05 MaxDP=1.94D-03 DE=-6.80D-06 OVMax= 4.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.34D-05    CP:  1.03D+00  1.15D+00  1.19D+00  1.30D+00  1.08D+00
 E= -401.996913583163     Delta-E=       -0.000001721166 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.996913583163     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-08 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-02-0.180D-01-0.197D-01 0.795D-01 0.277D+00 0.680D+00
 Coeff:      0.127D-02-0.180D-01-0.197D-01 0.795D-01 0.277D+00 0.680D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=6.55D-06 MaxDP=7.86D-04 DE=-1.72D-06 OVMax= 1.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.40D-06    CP:  1.03D+00  1.15D+00  1.20D+00  1.33D+00  1.16D+00
                    CP:  1.21D+00
 E= -401.996913671999     Delta-E=       -0.000000088836 Rises=F Damp=F
 DIIS: error= 5.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.996913671999     IErMin= 7 ErrMin= 5.51D-06
 ErrMax= 5.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-08 BMatP= 9.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-03-0.849D-03-0.173D-02-0.223D-01-0.154D-01 0.336D+00
 Coeff-Com:  0.704D+00
 Coeff:      0.228D-03-0.849D-03-0.173D-02-0.223D-01-0.154D-01 0.336D+00
 Coeff:      0.704D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=3.66D-06 MaxDP=4.69D-04 DE=-8.88D-08 OVMax= 7.72D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.03D+00  1.15D+00  1.20D+00  1.35D+00  1.21D+00
                    CP:  1.37D+00  1.29D+00
 E= -401.996913700701     Delta-E=       -0.000000028702 Rises=F Damp=F
 DIIS: error= 1.70D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.996913700701     IErMin= 8 ErrMin= 1.70D-06
 ErrMax= 1.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-09 BMatP= 2.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-03 0.244D-02 0.248D-02-0.207D-01-0.482D-01 0.955D-02
 Coeff-Com:  0.271D+00 0.784D+00
 Coeff:     -0.102D-03 0.244D-02 0.248D-02-0.207D-01-0.482D-01 0.955D-02
 Coeff:      0.271D+00 0.784D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.83D-06 MaxDP=2.57D-04 DE=-2.87D-08 OVMax= 3.79D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.43D-07    CP:  1.03D+00  1.15D+00  1.20D+00  1.35D+00  1.23D+00
                    CP:  1.45D+00  1.47D+00  1.28D+00
 E= -401.996913704439     Delta-E=       -0.000000003738 Rises=F Damp=F
 DIIS: error= 5.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.996913704439     IErMin= 9 ErrMin= 5.87D-07
 ErrMax= 5.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-10 BMatP= 2.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.573D-04 0.928D-03 0.101D-02-0.528D-02-0.154D-01-0.334D-01
 Coeff-Com:  0.268D-01 0.279D+00 0.746D+00
 Coeff:     -0.573D-04 0.928D-03 0.101D-02-0.528D-02-0.154D-01-0.334D-01
 Coeff:      0.268D-01 0.279D+00 0.746D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=7.47D-07 MaxDP=1.08D-04 DE=-3.74D-09 OVMax= 1.19D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.69D-07    CP:  1.03D+00  1.15D+00  1.20D+00  1.36D+00  1.24D+00
                    CP:  1.48D+00  1.56D+00  1.44D+00  1.23D+00
 E= -401.996913704809     Delta-E=       -0.000000000370 Rises=F Damp=F
 DIIS: error= 1.47D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.996913704809     IErMin=10 ErrMin= 1.47D-07
 ErrMax= 1.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-11 BMatP= 2.43D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.405D-05-0.371D-04-0.377D-04 0.106D-02 0.190D-02-0.872D-02
 Coeff-Com: -0.227D-01-0.283D-01 0.169D+00 0.888D+00
 Coeff:     -0.405D-05-0.371D-04-0.377D-04 0.106D-02 0.190D-02-0.872D-02
 Coeff:     -0.227D-01-0.283D-01 0.169D+00 0.888D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=2.35D-07 MaxDP=3.03D-05 DE=-3.70D-10 OVMax= 4.43D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.35D-08    CP:  1.03D+00  1.15D+00  1.20D+00  1.36D+00  1.24D+00
                    CP:  1.49D+00  1.59D+00  1.50D+00  1.37D+00  1.22D+00
 E= -401.996913704844     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 5.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.996913704844     IErMin=11 ErrMin= 5.11D-08
 ErrMax= 5.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-12 BMatP= 1.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.489D-05-0.111D-03-0.124D-03 0.904D-03 0.226D-02 0.598D-03
 Coeff-Com: -0.979D-02-0.386D-01-0.197D-01 0.277D+00 0.787D+00
 Coeff:      0.489D-05-0.111D-03-0.124D-03 0.904D-03 0.226D-02 0.598D-03
 Coeff:     -0.979D-02-0.386D-01-0.197D-01 0.277D+00 0.787D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=7.72D-08 MaxDP=9.67D-06 DE=-3.46D-11 OVMax= 1.19D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.64D-08    CP:  1.03D+00  1.15D+00  1.20D+00  1.36D+00  1.24D+00
                    CP:  1.49D+00  1.60D+00  1.51D+00  1.43D+00  1.33D+00
                    CP:  1.26D+00
 E= -401.996913704845     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.58D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.996913704845     IErMin=12 ErrMin= 1.58D-08
 ErrMax= 1.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-13 BMatP= 2.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-05-0.268D-04-0.298D-04 0.148D-03 0.438D-03 0.872D-03
 Coeff-Com: -0.520D-03-0.750D-02-0.209D-01-0.116D-01 0.209D+00 0.831D+00
 Coeff:      0.165D-05-0.268D-04-0.298D-04 0.148D-03 0.438D-03 0.872D-03
 Coeff:     -0.520D-03-0.750D-02-0.209D-01-0.116D-01 0.209D+00 0.831D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.75D-08 MaxDP=1.26D-06 DE=-1.02D-12 OVMax= 4.01D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.85D-09    CP:  1.03D+00  1.15D+00  1.20D+00  1.36D+00  1.24D+00
                    CP:  1.49D+00  1.60D+00  1.52D+00  1.44D+00  1.36D+00
                    CP:  1.42D+00  1.17D+00
 E= -401.996913704842     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 3.83D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.996913704845     IErMin=13 ErrMin= 3.83D-09
 ErrMax= 3.83D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-14 BMatP= 1.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-06 0.663D-05 0.761D-05-0.690D-04-0.159D-03 0.887D-04
 Coeff-Com:  0.930D-03 0.296D-02-0.188D-02-0.326D-01-0.531D-01 0.175D+00
 Coeff-Com:  0.909D+00
 Coeff:     -0.182D-06 0.663D-05 0.761D-05-0.690D-04-0.159D-03 0.887D-04
 Coeff:      0.930D-03 0.296D-02-0.188D-02-0.326D-01-0.531D-01 0.175D+00
 Coeff:      0.909D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=6.13D-09 MaxDP=4.22D-07 DE= 3.52D-12 OVMax= 1.29D-07

 SCF Done:  E(RwB97XD) =  -401.996913705     A.U. after   13 cycles
            NFock= 13  Conv=0.61D-08     -V/T= 2.0106
 KE= 3.977970788190D+02 PE=-1.752436301377D+03 EE= 5.448038545262D+02
 Leave Link  502 at Fri Aug 13 10:48:51 2021, MaxMem=  5368709120 cpu:             807.6 elap:             101.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.35534456D+02

 Leave Link  801 at Fri Aug 13 10:48:52 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.39D-01 5.00D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.07D-02 3.44D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.32D-03 7.89D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 6.79D-05 2.03D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.48D-06 3.20D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 7.44D-08 4.07D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.52D-09 6.20D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.75D-11 8.18D-07.
      8 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 4.17D-13 8.82D-08.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 6.04D-15 1.30D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.858969D+02
      2 -0.134287D-01  0.756899D+02
      3 -0.264904D+01  0.189513D+01  0.732331D+02
 Isotropic polarizability for W=    0.088559       78.27 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.676315D+02 -0.240638D+02  0.442855D+01
      2  -0.384562D+02  0.223630D+02 -0.117965D+02
      3  -0.291753D+02  0.170085D+01  0.736798D+01
      4  -0.241568D+02  0.368692D+02 -0.162150D+02
      5   0.116224D+02 -0.186588D+02  0.636400D+02
      6  -0.428266D+01 -0.917185D-02 -0.593059D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.183619D+01  0.528041D+00  0.522192D-01
      2   0.563232D+01 -0.606484D+01  0.324028D+02
      3   0.612963D+01 -0.248435D+02  0.713746D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.244384D+01  0.117874D+02  0.763144D+01
      2  -0.719389D+01 -0.119324D+02  0.928153D+02
      3  -0.929603D-01 -0.753254D+02  0.143762D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.746501D-01 -0.965908D+00 -0.603152D+00
      2  -0.965908D+00 -0.332456D+00  0.296410D+00
      3  -0.603152D+00  0.296410D+00 -0.356468D+00
 OR G Eigenvalues:    -1.2243    -0.6085     1.0692  Iso=     0.2545
 Eigenvectors:
   (1)   0.697006   0.669960   0.255608
   (2)   0.132965  -0.471038   0.872034
   (3)   0.704630  -0.573826  -0.417398
 w=    0.088559 a.u., Optical Rotation Beta=      0.2545 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      110.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.09D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.40D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.53D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.33D-02 3.43D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.40D-03 7.54D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.22D-05 6.56D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.36D-07 4.77D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.85D-09 6.10D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 1.52D-11 5.43D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 9.81D-14 2.88D-08.
      1 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 7.96D-16 2.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.858969D+02 -0.134287D-01 -0.264904D+01
      2  -0.134287D-01  0.756899D+02  0.189513D+01
      3  -0.264904D+01  0.189513D+01  0.732331D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.183619D+01  0.528041D+00  0.522192D-01
      2   0.563232D+01 -0.606484D+01  0.324028D+02
      3   0.612963D+01 -0.248435D+02  0.713746D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.676315D+02 -0.240638D+02  0.442855D+01
      2  -0.384562D+02  0.223630D+02 -0.117965D+02
      3  -0.291753D+02  0.170085D+01  0.736798D+01
      4  -0.241568D+02  0.368692D+02 -0.162150D+02
      5   0.116224D+02 -0.186588D+02  0.636400D+02
      6  -0.428266D+01 -0.917185D-02 -0.593059D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338749D+00  0.208938D+01 -0.363770D+01  0.337679D+01 -0.383124D+01
      2   0.208938D+01 -0.318511D+01  0.666264D+00 -0.383124D+01 -0.318461D+01
      3  -0.363770D+01  0.666264D+00  0.126559D+01  0.495198D+00 -0.115774D+01
                 6             7             8             9            10 
      1   0.495198D+00 -0.479755D+01  0.981917D+00  0.788651D-01  0.193926D+01
      2  -0.115774D+01  0.981917D+00 -0.135822D+01  0.151051D+01 -0.196752D+01
      3   0.177133D+01  0.788651D-01  0.151051D+01  0.672251D+01  0.378834D+01
                11            12            13            14            15 
      1  -0.196752D+01  0.378834D+01 -0.520507D+01  0.390962D+01 -0.130492D-01
      2   0.384556D+01 -0.139110D+00  0.390962D+01  0.452915D+01  0.201157D+01
      3  -0.139110D+00 -0.886048D+00 -0.130492D-01  0.201157D+01 -0.639541D+00
                16            17            18            19            20 
      1   0.601456D+01 -0.511854D+00 -0.376109D+00 -0.302714D+01  0.510717D+01
      2  -0.511854D+00  0.231422D+01 -0.204395D+00  0.510717D+01 -0.896063D+00
      3  -0.376109D+00 -0.204395D+00 -0.522266D+01 -0.128262D+01  0.148282D+00
                21            22            23            24            25 
      1  -0.128262D+01  0.561714D+01 -0.935687D+00  0.308760D+00 -0.346306D+01
      2   0.148282D+00 -0.935687D+00 -0.701832D+00 -0.799547D+00 -0.542569D-01
      3  -0.294506D+00  0.308760D+00 -0.799547D+00  0.161099D+01 -0.592918D+00
                26            27            28            29            30 
      1  -0.542569D-01 -0.592918D+00  0.832825D+00 -0.352677D+01 -0.803762D+00
      2  -0.159134D+01  0.113891D+01 -0.352677D+01  0.106997D+01  0.150736D+01
      3   0.113891D+01  0.602899D+01 -0.803762D+00  0.150736D+01  0.914394D+00
                31            32            33            34            35 
      1  -0.351132D+01 -0.189132D+00  0.181235D+01 -0.408557D+01  0.174928D+01
      2  -0.189132D+00 -0.584135D+00  0.594478D+00  0.174928D+01  0.101692D-01
      3   0.181235D+01  0.594478D+00 -0.126325D+01  0.142958D+01 -0.111443D+01
                36            37            38            39            40 
      1   0.142958D+01  0.545019D+01  0.187592D+01 -0.166524D+01  0.545689D+00
      2  -0.111443D+01  0.187592D+01  0.168240D+01 -0.707183D+00  0.397204D+00
      3  -0.264699D+01 -0.166524D+01 -0.707183D+00  0.317723D+00 -0.112326D+01
                41            42            43            44            45 
      1   0.397204D+00 -0.112326D+01 -0.297900D+01 -0.174723D+01 -0.794603D+00
      2  -0.392725D+01 -0.160624D+01 -0.174723D+01 -0.237589D+01 -0.152895D+01
      3  -0.160624D+01 -0.881440D+00 -0.794603D+00 -0.152895D+01 -0.246730D+01
                46            47            48            49            50 
      1   0.111657D+01  0.239851D+01 -0.445973D+01  0.265620D+01 -0.365841D+01
      2   0.239851D+01 -0.339021D+01  0.494142D+00 -0.365841D+01 -0.251072D+01
      3  -0.445973D+01  0.494142D+00  0.796473D+00  0.549199D+00 -0.298180D+01
                51            52            53            54            55 
      1   0.549199D+00 -0.381688D+01  0.297081D+00  0.723850D+00  0.213321D+01
      2  -0.298180D+01  0.297081D+00 -0.234419D+01  0.576640D+00 -0.107505D+01
      3   0.132409D+01  0.723850D+00  0.576640D+00  0.336904D+01  0.804194D+00
                56            57            58            59            60 
      1  -0.107505D+01  0.804194D+00 -0.948541D+00  0.244248D+01 -0.831535D+00
      2   0.405280D+01 -0.800479D+00  0.244248D+01  0.119424D+01  0.837884D+00
      3  -0.800479D+00  0.247234D+01 -0.831535D+00  0.837884D+00 -0.173405D+01
                61            62            63            64            65 
      1   0.116850D+01 -0.128581D+01  0.241155D+01 -0.710213D+01  0.250502D+01
      2  -0.128581D+01  0.917648D+00 -0.176141D+01  0.250502D+01 -0.261598D+01
      3   0.241155D+01 -0.176141D+01 -0.226621D+01  0.276157D+01 -0.119775D+01
                66            67            68            69            70 
      1   0.276157D+01  0.392286D+01 -0.225083D+01 -0.106472D+01  0.566804D+01
      2  -0.119775D+01 -0.225083D+01  0.423408D+01  0.170875D+01 -0.929836D+00
      3  -0.206461D+01 -0.106472D+01  0.170875D+01  0.184379D+01 -0.288849D+01
                71            72            73            74            75 
      1  -0.929836D+00 -0.288849D+01  0.541538D+00 -0.682425D+00 -0.101216D+01
      2   0.239459D+01  0.208276D+01 -0.682425D+00  0.236600D+00 -0.628132D-01
      3   0.208276D+01  0.564947D+01 -0.101216D+01 -0.628132D-01  0.125974D+00
                76            77            78            79            80 
      1  -0.133949D+01  0.261086D+00  0.217115D-01 -0.140522D+01  0.152192D-01
      2   0.261086D+00  0.553924D-01 -0.108461D+01  0.152192D-01 -0.123400D+01
      3   0.217115D-01 -0.108461D+01 -0.696828D+00  0.800898D-01 -0.248275D+00
                81            82            83            84            85 
      1   0.800898D-01 -0.141799D+01 -0.105841D+01 -0.838077D+00 -0.128490D+01
      2  -0.248275D+00 -0.105841D+01 -0.146347D+01  0.119717D-02 -0.129210D+01
      3  -0.834680D+01 -0.838077D+00  0.119717D-02 -0.272780D+00 -0.312142D-01
                86            87            88            89            90 
      1  -0.129210D+01 -0.312142D-01 -0.115375D+01 -0.427692D-01 -0.134045D+00
      2  -0.735763D+01 -0.112817D+01 -0.427692D-01 -0.110491D+01 -0.125413D+01
      3  -0.112817D+01 -0.147718D+01 -0.134045D+00 -0.125413D+01 -0.122588D+00
                91            92            93            94            95 
      1  -0.774987D+01 -0.408847D+01  0.383382D+00 -0.218059D+01 -0.195420D+01
      2  -0.408847D+01 -0.344455D+01  0.648195D-01 -0.195420D+01 -0.251417D+01
      3   0.383382D+00  0.648195D-01 -0.107822D+01  0.188426D+00 -0.452483D-02
                96            97            98            99           100 
      1   0.188426D+00  0.245216D+01  0.142490D+01 -0.102161D+01 -0.103999D+01
      2  -0.452483D-02  0.142490D+01  0.114781D+01 -0.636396D+00  0.178731D+01
      3  -0.578104D+00 -0.102161D+01 -0.636396D+00  0.333596D+00 -0.105197D+01
               101           102           103           104           105 
      1   0.178731D+01 -0.105197D+01  0.162364D+01 -0.209886D+01  0.100690D+01
      2  -0.262112D+01  0.128746D+01 -0.209886D+01  0.490355D+01 -0.198329D+01
      3   0.128746D+01 -0.116881D+01  0.100690D+01 -0.198329D+01  0.168028D+01
               106           107           108           109           110 
      1  -0.170468D+01  0.149019D+01 -0.137387D+01 -0.202602D+00  0.586670D+00
      2   0.149019D+01 -0.323272D+01  0.227305D+01  0.586670D+00 -0.738105D+00
      3  -0.137387D+01  0.227305D+01 -0.236023D+01  0.339703D+00 -0.447557D+00
               111           112           113           114           115 
      1   0.339703D+00  0.613748D+00 -0.336886D+00 -0.397183D+00  0.122494D+01
      2  -0.447557D+00 -0.336886D+00  0.170724D+01  0.101389D+01 -0.357103D+00
      3  -0.933791D+00 -0.397183D+00  0.101389D+01  0.115620D+01 -0.733921D+00
               116           117           118           119           120 
      1  -0.357103D+00 -0.733921D+00  0.124132D+01  0.880224D+00  0.111843D+01
      2   0.243344D+01  0.162967D+01  0.880224D+00  0.169261D+01  0.495871D+00
      3   0.162967D+01  0.434207D+01  0.111843D+01  0.495871D+00  0.963521D+00
               121           122           123           124           125 
      1   0.156544D+01  0.157929D+01  0.845671D+00  0.811546D+00  0.339973D+00
      2   0.157929D+01  0.500190D+01  0.189181D+01  0.339973D+00  0.135224D+01
      3   0.845671D+00  0.189181D+01  0.268621D+01  0.450388D+00  0.116591D+01
               126           127           128           129           130 
      1   0.450388D+00 -0.474959D+01 -0.826676D+00  0.241821D+01 -0.881009D+00
      2   0.116591D+01 -0.826676D+00 -0.836971D+00  0.604140D+00 -0.398037D+00
      3   0.108226D+01  0.241821D+01  0.604140D+00 -0.350723D+01  0.324943D+00
               131           132           133           134           135 
      1  -0.398037D+00  0.324943D+00  0.219796D+01  0.297131D+00 -0.199817D+01
      2  -0.391145D+00  0.103955D+01  0.297131D+00  0.853489D+00 -0.577231D+00
      3   0.103955D+01 -0.837131D+00 -0.199817D+01 -0.577231D+00  0.298452D+01
               136           137           138           139           140 
      1   0.371537D+01 -0.227264D+01  0.248245D+01 -0.268270D+01  0.241633D+01
      2  -0.227264D+01  0.234922D+01 -0.132849D+01  0.241633D+01 -0.305077D+01
      3   0.248245D+01 -0.132849D+01  0.235423D+01 -0.146022D+01  0.217066D+01
               141           142           143           144           145 
      1  -0.146022D+01  0.158964D+01 -0.944540D+00  0.158867D+01 -0.400546D-01
      2   0.217066D+01 -0.944540D+00  0.150046D+01 -0.156953D+01 -0.293067D+00
      3  -0.252794D+01  0.158867D+01 -0.156953D+01  0.217451D+01 -0.638483D+00
               146           147           148           149           150 
      1  -0.293067D+00 -0.638483D+00 -0.723399D+00  0.672237D+00  0.185100D+00
      2   0.184252D+00 -0.166205D-01  0.672237D+00 -0.363561D+00 -0.110068D+01
      3  -0.166205D-01 -0.287000D+00  0.185100D+00 -0.110068D+01 -0.138327D+01
               151           152           153           154           155 
      1  -0.173568D+01  0.214980D+00  0.164951D+01  0.162413D+01  0.139736D+01
      2   0.214980D+00 -0.129202D+01 -0.115194D+01  0.139736D+01  0.177513D+01
      3   0.164951D+01 -0.115194D+01 -0.928473D+01  0.272017D+00 -0.133423D+00
               156           157           158           159           160 
      1   0.272017D+00  0.318943D+01  0.228408D+01 -0.471586D+00  0.934113D+00
      2  -0.133423D+00  0.228408D+01  0.549626D+01  0.534178D-03  0.565330D-01
      3   0.283868D+00 -0.471586D+00  0.534178D-03  0.123818D+01  0.446301D+00
               161           162           163           164           165 
      1   0.565330D-01  0.446301D+00  0.639618D+01 -0.283652D+01  0.102145D+01
      2   0.530138D+00  0.574315D+00 -0.283652D+01  0.230304D+01 -0.436105D+00
      3   0.574315D+00 -0.443833D+00  0.102145D+01 -0.436105D+00  0.998890D+00
               166           167           168           169           170 
      1  -0.435390D+01  0.298306D+01 -0.345497D+00  0.307992D+01 -0.993814D+00
      2   0.298306D+01 -0.253598D+01  0.577469D+00 -0.993814D+00  0.107909D+01
      3  -0.345497D+00  0.577469D+00 -0.129233D+01  0.105491D+01 -0.905077D+00
               171 
      1   0.105491D+01
      2  -0.905077D+00
      3   0.474380D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.333748D+01  0.286892D+01 -0.581070D-01  0.391742D+01  0.228034D+01
      2  -0.928238D+01  0.366863D+01  0.141165D+01  0.440113D+01 -0.635746D+01
      3  -0.564699D+01  0.593958D+01 -0.227753D+00  0.132171D+02  0.112223D+02
                 6             7             8             9            10 
      1  -0.781306D+00  0.419000D+00  0.293015D+01  0.668416D-01  0.386847D+01
      2   0.513002D+01 -0.795311D+01  0.518935D+01  0.195268D+02  0.742570D+01
      3   0.165217D+01 -0.175459D+01  0.331882D+01 -0.462926D+01  0.157536D+01
                11            12            13            14            15 
      1  -0.744473D+00 -0.273837D+00 -0.671510D+00  0.271108D+01 -0.482895D+01
      2  -0.144622D+01  0.351062D+01 -0.444296D+01  0.275772D+01 -0.980703D+00
      3  -0.504597D+01 -0.135847D+01  0.982652D+00 -0.103058D+02 -0.243671D+01
                16            17            18            19            20 
      1  -0.133308D+01  0.183560D+01 -0.264318D+01 -0.475190D+01 -0.277766D-01
      2  -0.288121D+01  0.228450D-01 -0.505880D+01 -0.178765D+01  0.181352D+01
      3   0.149551D-01 -0.184845D+01  0.985292D+00  0.380656D+01 -0.411095D+01
                21            22            23            24            25 
      1  -0.123410D+01  0.630441D+00  0.209151D+01  0.413265D+00 -0.103250D+01
      2   0.191895D+01  0.471837D+01 -0.162876D+01  0.147963D+01 -0.805195D+01
      3   0.139018D+01  0.232795D+01  0.119075D+01  0.728729D+00 -0.131487D+01
                26            27            28            29            30 
      1   0.473710D+01 -0.271986D+01  0.280561D+01  0.344094D+01  0.113128D+01
      2  -0.404062D+00 -0.181797D+01 -0.671602D+01 -0.226731D+01 -0.539306D+01
      3   0.738817D+00 -0.506183D-01 -0.705453D+01  0.295931D+01 -0.155715D+01
                31            32            33            34            35 
      1   0.943312D+00 -0.760646D+01  0.454572D+00  0.119336D+01  0.352899D+01
      2   0.290223D+01  0.247775D+01  0.264279D+00 -0.120086D+02 -0.443820D+00
      3   0.397177D+01  0.261174D+01 -0.281760D+01 -0.702518D+01 -0.835447D+01
                36            37            38            39            40 
      1   0.678520D+01 -0.307410D+01 -0.846823D+00 -0.470329D+00 -0.328440D+00
      2   0.867997D+01  0.599616D+01  0.300913D+01  0.831874D+00 -0.215773D+01
      3  -0.195440D+01 -0.164620D+01 -0.795127D+00  0.728886D+00  0.566779D+01
                41            42            43            44            45 
      1   0.218845D+01 -0.494339D+01  0.211522D+01  0.315219D+01 -0.311018D+01
      2   0.246978D+01  0.203505D+01 -0.391645D+01  0.203182D+01  0.502826D+01
      3  -0.815336D+01 -0.185378D+01  0.256901D+01 -0.129861D+01 -0.285098D+01
                46            47            48            49            50 
      1   0.211927D+01 -0.630590D+01  0.157663D+01 -0.669224D+01 -0.627696D+01
      2  -0.100408D+02 -0.390206D+01  0.133957D+02 -0.262712D+01  0.244248D+01
      3  -0.399744D+01  0.170782D+01  0.881124D+00  0.578085D+01  0.532805D+01
                51            52            53            54            55 
      1  -0.884149D+01  0.107675D+01 -0.254942D+01  0.428086D+01 -0.638707D+00
      2   0.393442D+00  0.666757D+01  0.304290D+00  0.220548D+01  0.161111D+01
      3   0.382121D+01  0.107424D+01  0.287438D+01 -0.102567D+01  0.555673D+01
                56            57            58            59            60 
      1   0.105040D+01 -0.670987D+01  0.671736D+00 -0.447436D+01 -0.747349D+00
      2   0.491605D-02  0.473438D+01 -0.562298D+00  0.149830D+01 -0.632110D+00
      3  -0.872773D+01  0.157939D+01  0.269447D+01  0.605269D+01 -0.214480D+01
                61            62            63            64            65 
      1  -0.514159D+01  0.875329D+01  0.557589D+01 -0.953527D+00 -0.307716D+01
      2   0.161043D+00 -0.374709D+00  0.740846D-01 -0.923599D+00  0.239010D+01
      3   0.122460D+01 -0.297998D+01  0.695294D+01  0.178364D+01 -0.968173D+01
                66            67            68            69            70 
      1   0.175953D+01  0.447238D+00  0.239749D+01 -0.348937D+01 -0.355156D+00
      2   0.990272D+01  0.864010D+00 -0.495730D+01 -0.371685D+01  0.237125D+01
      3  -0.746575D+00  0.325680D+00  0.731389D+01  0.384582D+01  0.459982D+01
                71            72            73            74            75 
      1   0.423081D+01 -0.256211D+01  0.862166D+00 -0.247113D+00  0.253525D+00
      2  -0.346029D+01 -0.128302D+02  0.807965D+00 -0.397153D+00 -0.778234D-01
      3   0.781792D+01  0.364352D+01  0.221309D+00 -0.600339D+00 -0.551641D+00
                76            77            78            79            80 
      1  -0.287990D+00  0.139130D+00  0.298970D+00  0.839610D-03  0.366375D+01
      2  -0.131399D+01  0.257991D+00 -0.489214D-01 -0.362802D+01  0.145862D+00
      3   0.129249D+01 -0.569284D-01 -0.319000D+00  0.283136D+00 -0.141078D+00
                81            82            83            84            85 
      1   0.219727D+01 -0.123120D+01  0.981794D-01 -0.603872D+00 -0.130694D+00
      2   0.711501D+00 -0.126075D+01 -0.152316D+00  0.237173D+00 -0.268724D+00
      3  -0.109659D+00  0.375411D+01  0.174699D+01  0.881595D+00  0.601862D+01
                86            87            88            89            90 
      1  -0.228538D+00 -0.363977D+01 -0.141720D+00  0.169772D+00 -0.144810D+00
      2  -0.968050D+00 -0.111788D+01 -0.168250D+01 -0.128641D+01 -0.286200D-01
      3   0.861895D+01  0.141839D+01  0.147956D+01  0.130073D+01  0.153906D+01
                91            92            93            94            95 
      1   0.349973D+01  0.217485D+01 -0.193650D+01  0.185351D+01  0.177274D+01
      2  -0.514137D+01 -0.297551D+01  0.365625D+01 -0.222396D+01 -0.171001D+01
      3   0.256798D+01 -0.331658D+01 -0.607975D+00  0.371895D+00 -0.196931D+01
                96            97            98            99           100 
      1  -0.952751D+00 -0.175350D+01 -0.734597D+00  0.116752D+01  0.121917D+01
      2   0.147245D+01  0.276855D+01  0.178978D+01 -0.217818D+01 -0.149536D+01
      3  -0.644051D-02 -0.147701D+00  0.148403D+01 -0.272394D+00 -0.355619D+01
               101           102           103           104           105 
      1  -0.156761D+01  0.318587D+01 -0.163917D+01  0.195720D+01 -0.384248D+01
      2   0.891761D+00  0.130737D-01  0.126425D+01 -0.128104D+01  0.316667D+00
      3   0.330909D+01 -0.252361D+01  0.597905D+01 -0.504293D+01  0.301358D+01
               106           107           108           109           110 
      1   0.242634D+01 -0.233162D+01  0.404058D+01 -0.100052D+01  0.845517D+00
      2  -0.212729D+01  0.105425D+01 -0.722098D+00  0.849420D+00  0.873549D-01
      3  -0.465474D+01  0.389480D+01 -0.376587D+01 -0.100900D+01  0.216503D+00
               111           112           113           114           115 
      1   0.276689D+01  0.106754D+01 -0.259461D+01 -0.337614D+01  0.209778D+01
      2  -0.375278D+00  0.581471D-01  0.153142D+00  0.252673D+00 -0.241509D+01
      3   0.115849D+01  0.168282D+01 -0.105958D+01 -0.115297D+01  0.377312D+01
               116           117           118           119           120 
      1  -0.292594D+01 -0.118016D+02  0.198438D+01  0.364322D+01  0.665641D+00
      2   0.439607D+00  0.854631D+00 -0.288972D+00 -0.820639D+00  0.659387D+00
      3  -0.134396D+01 -0.266735D+01 -0.721876D+00 -0.342344D+01 -0.878188D+00
               121           122           123           124           125 
      1   0.287145D+01  0.122796D+02  0.180877D+01  0.107878D+01  0.400710D+01
      2  -0.270582D+01 -0.217317D+00  0.298228D+01 -0.183862D+01  0.819636D+00
      3  -0.346992D+00 -0.822508D+01 -0.230056D+01 -0.318133D+00 -0.175808D+01
               126           127           128           129           130 
      1   0.240477D+01  0.107660D+00 -0.242147D+01 -0.117557D+01 -0.778047D+00
      2   0.491404D+00  0.153358D+02  0.210411D+01 -0.643942D+01  0.192876D+01
      3  -0.175702D+01  0.376340D+01 -0.351853D+00 -0.143885D+01  0.189226D+01
               131           132           133           134           135 
      1   0.885075D-01  0.495475D+00 -0.554577D+00  0.256870D+01  0.510428D+00
      2   0.182556D+01 -0.130696D+01 -0.881203D+01 -0.126589D+01  0.623308D+01
      3   0.299514D+00 -0.125416D+01 -0.136236D+01 -0.225781D+00  0.155947D+01
               136           137           138           139           140 
      1  -0.267653D+01  0.458927D+01 -0.904413D-01  0.353378D+01 -0.471587D+01
      2  -0.365704D+01  0.217181D+01  0.113733D+01  0.360352D+01 -0.121873D+01
      3   0.339784D+00 -0.360036D+01  0.657949D+00 -0.232950D+00  0.348016D+01
               141           142           143           144           145 
      1   0.468011D+00 -0.117827D+01  0.305222D+01 -0.119942D+01 -0.825566D-01
      2  -0.183454D+01 -0.278203D+01 -0.475032D-01  0.603033D+00 -0.227029D+01
      3  -0.215752D+01 -0.177569D+00 -0.204233D+01  0.126922D+01  0.101873D+01
               146           147           148           149           150 
      1   0.184326D-02 -0.760201D-01 -0.366355D+00  0.110189D+00 -0.501368D+00
      2  -0.297815D+00 -0.873019D-01 -0.570125D+00 -0.189734D+01 -0.351935D+01
      3  -0.100703D+01  0.317946D+00 -0.427128D+00  0.424891D+00  0.247741D+01
               151           152           153           154           155 
      1   0.293214D+00  0.359507D+01 -0.261461D+01 -0.123230D+01 -0.173998D+01
      2  -0.105424D+01 -0.280830D+01 -0.228474D+02  0.194424D+01  0.850255D+00
      3   0.578244D+00  0.356649D+01  0.251004D+01 -0.451448D+01 -0.572506D+01
               156           157           158           159           160 
      1  -0.432966D+00 -0.170283D+01 -0.481454D+01 -0.193718D+01 -0.200415D+00
      2   0.180217D+01  0.113932D+01  0.239942D+01  0.396745D+01  0.456354D+00
      3   0.362456D+00 -0.351643D+01 -0.180900D+02 -0.279767D+00  0.124525D+00
               161           162           163           164           165 
      1   0.583109D+00 -0.633914D+00  0.251236D+01 -0.173483D+01  0.172225D+01
      2   0.143572D+01 -0.513108D+00  0.756829D+01 -0.378653D+01  0.578094D+01
      3  -0.172963D+01 -0.140600D+01  0.376752D+01 -0.733846D+01  0.984688D+00
               166           167           168           169           170 
      1  -0.201369D+01  0.174906D+01 -0.267683D+01  0.981106D+00 -0.420932D+00
      2  -0.400702D+01  0.395385D+01 -0.513664D+01  0.377392D+01 -0.313766D+01
      3  -0.472936D+01  0.635559D+01 -0.155855D+01  0.103393D+01 -0.327363D+01
               171 
      1   0.134785D+01
      2   0.291268D+01
      3   0.202966D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.389529D-01  0.116344D+02 -0.183328D+02  0.142302D+02 -0.232150D+02
      2  -0.677780D+01 -0.272031D+01  0.886005D+01 -0.526796D+01  0.859420D+01
      3   0.681675D+01 -0.891412D+01  0.947274D+01 -0.896223D+01  0.146208D+02
      4   0.156226D+02 -0.191759D+02  0.581190D+01 -0.265675D+02 -0.140671D+02
      5  -0.205167D+02  0.264978D+01  0.770885D+01  0.198477D+01 -0.357465D+01
      6   0.142946D+01  0.195780D+01 -0.896461D+00  0.267408D+01  0.555482D+01
                 6             7             8             9            10 
      1   0.468532D+01 -0.226658D+02  0.724993D+01  0.141204D+02 -0.891419D+01
      2   0.137543D+01  0.815340D+01  0.335684D+00  0.621117D+01  0.112305D+00
      3  -0.606075D+01  0.145124D+02 -0.758562D+01 -0.203316D+02  0.880189D+01
      4  -0.562650D+01  0.855171D+01 -0.823569D+01  0.796055D+01 -0.333704D+01
      5   0.714089D+01  0.373797D+01  0.691070D+01  0.271519D+02  0.148283D+02
      6  -0.517137D+00  0.434137D+00 -0.572573D+00 -0.101689D+02 -0.411913D+01
                11            12            13            14            15 
      1  -0.445047D+00  0.121879D+02 -0.981935D+00  0.163065D+02  0.266352D+01
      2  -0.221740D+01 -0.780486D+01 -0.102248D+01 -0.212773D+02 -0.362153D+01
      3   0.266245D+01 -0.438308D+01  0.200441D+01  0.497086D+01  0.958011D+00
      4   0.711774D+01 -0.322287D+01  0.144314D+02  0.431682D+01  0.306507D+01
      5  -0.663919D+00 -0.301242D+01 -0.459335D+00  0.339688D+01 -0.149052D+01
      6   0.152449D+00  0.112061D+01  0.232927D+00 -0.559576D+01  0.366329D+01
                16            17            18            19            20 
      1   0.155661D+02  0.354065D+00  0.588283D+00 -0.790213D+01 -0.450633D+01
      2  -0.732793D+01 -0.160950D+01  0.158720D+01  0.110797D+02  0.166293D+00
      3  -0.823821D+01  0.125544D+01 -0.217549D+01 -0.317756D+01  0.434004D+01
      4  -0.516882D+01  0.337788D+01 -0.646256D+00 -0.326294D+01 -0.258302D+01
      5  -0.250660D+01 -0.299075D+00 -0.127080D+02 -0.395598D+01 -0.128861D+01
      6  -0.255581D+00 -0.714234D+00  0.216739D+01  0.318129D+00 -0.632525D+00
                21            22            23            24            25 
      1  -0.959513D+00 -0.382355D+00 -0.406854D+00  0.131167D+01 -0.557441D+01
      2   0.171889D+01 -0.143144D+01 -0.379056D+01  0.562057D+00  0.243470D+01
      3  -0.759379D+00  0.181380D+01  0.419742D+01 -0.187372D+01  0.313971D+01
      4   0.808734D+00 -0.114828D+02 -0.455349D+00 -0.357647D+00  0.379164D+01
      5   0.164830D+01  0.162779D+01  0.476427D+00  0.199527D+01  0.175281D+01
      6  -0.224814D+00 -0.774510D-01  0.301977D+01 -0.299844D+01 -0.546727D+00
                26            27            28            29            30 
      1   0.380015D+01  0.102930D+02 -0.623938D+01  0.103273D+02  0.734889D+00
      2  -0.173798D+01  0.117934D+02  0.124914D+01 -0.570012D+01 -0.476513D+01
      3  -0.206217D+01 -0.220864D+02  0.499024D+01 -0.462715D+01  0.403024D+01
      4   0.267843D+00 -0.116575D+01  0.117277D+02 -0.815821D+01 -0.735980D+01
      5  -0.412499D+00 -0.508400D+00  0.758857D+01 -0.688568D+01 -0.109928D+02
      6   0.262106D+01  0.140319D+01 -0.380740D+01  0.807922D+00 -0.134992D+01
                31            32            33            34            35 
      1   0.172079D+02  0.514263D+01 -0.400954D+01  0.142222D+02 -0.356273D+01
      2  -0.103746D+02 -0.896738D+01  0.898652D+01 -0.837599D+01 -0.266469D+01
      3  -0.683327D+01  0.382475D+01 -0.497698D+01 -0.584617D+01  0.622743D+01
      4  -0.576999D+01 -0.179489D+01 -0.124995D+01 -0.106571D+02  0.690829D+01
      5  -0.155845D+02 -0.787074D+00 -0.176526D+01 -0.901089D+01  0.850706D+00
      6  -0.374421D+01 -0.666073D+01 -0.303855D+01 -0.168994D+01 -0.103473D+01
                36            37            38            39            40 
      1  -0.716536D+01 -0.185206D+02 -0.786928D+01  0.670107D+01 -0.771770D+01
      2   0.457218D+01  0.462781D+01  0.214247D+01 -0.370613D+01  0.383442D+01
      3   0.259318D+01  0.138928D+02  0.572681D+01 -0.299494D+01  0.388328D+01
      4   0.285716D+01 -0.157426D+02 -0.510435D+01  0.633362D+01  0.495614D+01
      5   0.146906D+02  0.672178D+01  0.374402D+01  0.642421D+01  0.768550D+01
      6  -0.562359D+01  0.519597D+01  0.251805D+01  0.114690D+01  0.521914D+01
                41            42            43            44            45 
      1  -0.173293D+02 -0.886545D+00  0.109462D+02  0.167385D+01 -0.450835D+01
      2   0.230132D+02 -0.767693D-01 -0.390172D+01  0.199363D+01 -0.293116D+01
      3  -0.568387D+01  0.963315D+00 -0.704444D+01 -0.366748D+01  0.743951D+01
      4   0.151307D+02  0.707197D+01  0.132301D+02  0.103868D+02  0.521629D+01
      5   0.740966D+01  0.752602D+01  0.998027D+01  0.809115D+01  0.125839D+02
      6   0.884545D+01  0.100362D+02  0.250577D+01  0.100528D+02  0.858515D+01
                46            47            48            49            50 
      1   0.114272D+02  0.475442D+01 -0.119706D+02  0.397242D+01 -0.580996D+01
      2   0.178703D+01 -0.720064D+00  0.237976D+01 -0.112369D+01  0.912971D+01
      3  -0.132142D+02 -0.403435D+01  0.959081D+01 -0.284873D+01 -0.331975D+01
      4   0.489939D+01 -0.131502D+02  0.785454D+01 -0.148111D+02 -0.362927D+01
      5  -0.574471D+01  0.865410D+01 -0.121187D+02  0.756146D+01 -0.188652D+02
      6   0.126724D+02 -0.123354D+02  0.164357D+00 -0.136659D+02 -0.578730D+01
                51            52            53            54            55 
      1   0.444823D+00 -0.108862D+02 -0.889667D+00 -0.636157D+01  0.104845D+02
      2  -0.595990D+00  0.173311D+01 -0.127351D+00 -0.669779D+01 -0.709047D+01
      3   0.151166D+00  0.915308D+01  0.101702D+01  0.130594D+02 -0.339403D+01
      4  -0.112408D+02  0.659349D+01 -0.793619D+01  0.196375D+01  0.570047D+01
      5   0.398793D+01 -0.114523D+02  0.218481D+01  0.115978D+02 -0.147411D+01
      6  -0.121498D+02  0.111079D+01 -0.862748D+01  0.252714D+01  0.335081D+01
                56            57            58            59            60 
      1  -0.114798D+02  0.220347D+01 -0.748050D+01 -0.582559D+01 -0.199200D+01
      2   0.182645D+02 -0.263058D+01  0.133360D+02  0.152872D+02  0.389034D+01
      3  -0.678462D+01  0.427103D+00 -0.585552D+01 -0.946157D+01 -0.189833D+01
      4   0.734132D-01  0.217645D+01  0.656890D+01  0.147421D+02 -0.258139D+01
      5   0.176032D+01  0.230521D+01  0.708186D+00 -0.283381D+01  0.115640D+01
      6  -0.681281D+01  0.117843D+02 -0.545586D+01  0.436582D+01 -0.295264D+01
                61            62            63            64            65 
      1   0.369326D+01 -0.610618D+00  0.479216D+01  0.385807D+02 -0.920229D+01
      2  -0.355590D+01  0.327104D+01 -0.103937D+02 -0.206517D+02  0.268654D+01
      3  -0.137363D+00 -0.266042D+01  0.560151D+01 -0.179290D+02  0.651574D+01
      4   0.262125D+01 -0.233045D+01  0.936187D+01 -0.165807D+02  0.194692D+02
      5   0.391750D+01  0.307635D+01 -0.221234D+01 -0.167549D+02  0.710852D+01
      6   0.108822D+02 -0.718277D+01 -0.705901D+01  0.248004D+01 -0.224618D+01
                66            67            68            69            70 
      1  -0.895563D+01 -0.145165D+02  0.221279D+01  0.128306D+01 -0.146676D+02
      2   0.983493D+01  0.593327D+01  0.510760D+01 -0.287352D+01  0.995639D+01
      3  -0.879299D+00  0.858324D+01 -0.732039D+01  0.159045D+01  0.471121D+01
      4   0.717703D+01  0.175117D+02 -0.178687D+02 -0.846577D+01  0.614393D+01
      5   0.190200D+02  0.768474D+01 -0.850826D+01 -0.736975D+01  0.208795D+02
      6  -0.259122D+01 -0.353312D+01  0.340005D+01  0.760149D+01 -0.244345D+01
                71            72            73            74            75 
      1   0.115368D+00  0.333748D+01  0.542290D+00  0.255871D+00  0.180105D+00
      2  -0.786645D-01 -0.144364D+02 -0.419146D+01  0.269302D+00 -0.193303D+00
      3  -0.367035D-01  0.110989D+02  0.364917D+01 -0.525173D+00  0.131983D-01
      4  -0.123652D+02 -0.101610D+02 -0.202659D-01  0.131776D+01 -0.590933D+00
      5  -0.852185D+01 -0.272933D+02  0.235388D-01  0.981092D-01  0.563993D+01
      6   0.721175D+01  0.475003D+01 -0.377439D+00 -0.994454D-02  0.491201D-01
                76            77            78            79            80 
      1   0.976134D+00 -0.363196D+01 -0.129125D+01  0.994487D+00  0.570521D+00
      2   0.196293D+00  0.759257D-01 -0.183765D+01  0.440533D-01 -0.228888D+01
      3  -0.117243D+01  0.355603D+01  0.312890D+01 -0.103854D+01  0.171836D+01
      4   0.211805D+01 -0.215979D+00  0.816706D-01 -0.423906D+00  0.276938D+00
      5   0.883574D-01 -0.246222D+00 -0.379472D-01  0.513672D+01  0.245948D+00
      6   0.214395D+00  0.511946D+00  0.610743D+01  0.211448D+00  0.475868D+01
                81            82            83            84            85 
      1  -0.194859D+02 -0.809104D+00 -0.372119D+01 -0.205876D+01 -0.540803D+01
      2  -0.161244D+02  0.429775D+01  0.506426D+01  0.179482D+01  0.605393D+01
      3   0.356103D+02 -0.348864D+01 -0.134308D+01  0.263943D+00 -0.645901D+00
      4   0.696027D+00  0.833685D+00  0.357349D+01  0.788438D+00  0.294746D+01
      5   0.107571D+01 -0.146302D+01  0.578335D+00  0.987514D+00  0.120171D+01
      6  -0.315223D+01  0.126802D+01  0.991944D+00  0.732974D+00  0.746046D+00
                86            87            88            89            90 
      1  -0.190878D+02 -0.145082D+01 -0.299138D+01 -0.227802D+01 -0.413710D+01
      2   0.316138D+02  0.390463D+01  0.186723D+01  0.303866D+01  0.297236D+01
      3  -0.125260D+02 -0.245380D+01  0.112415D+01 -0.760639D+00  0.116475D+01
      4  -0.897304D+01 -0.159983D+01  0.518501D+00 -0.154156D+01 -0.106310D+01
      5  -0.161540D+01 -0.297523D+01  0.209157D+01 -0.162891D+01  0.560681D+00
      6   0.542759D+01  0.556315D+01  0.136701D+01  0.705426D+01  0.267497D+01
                91            92            93            94            95 
      1   0.370197D+02  0.157099D+02 -0.267973D+01  0.604748D+01  0.485953D+01
      2  -0.131932D+02 -0.312820D+01  0.272462D+00  0.886477D+00  0.252822D+01
      3  -0.238265D+02 -0.125817D+02  0.240727D+01 -0.693395D+01 -0.738776D+01
      4   0.292283D+02  0.202240D+02 -0.128472D+01  0.129339D+02  0.129242D+02
      5   0.179268D+01  0.133556D+01  0.503408D+01  0.363536D+00  0.775719D+00
      6  -0.125479D+01  0.143514D+00  0.255633D+01  0.265927D+00  0.340688D+00
                96            97            98            99           100 
      1  -0.641223D+00 -0.102189D+02 -0.493606D+01  0.327066D+01 -0.217119D+01
      2  -0.274511D+00  0.312185D+01  0.304368D+00 -0.137144D+01  0.521576D+01
      3   0.915734D+00  0.709701D+01  0.463169D+01 -0.189922D+01 -0.304457D+01
      4  -0.592758D+00 -0.985952D+01 -0.720915D+01  0.451258D+01 -0.575905D+01
      5   0.198878D+01  0.557022D+01  0.310046D+01 -0.200326D+01  0.288581D+01
      6   0.187644D+01  0.349879D+01  0.276132D+01 -0.158189D+01 -0.604665D+01
               101           102           103           104           105 
      1   0.781142D+01 -0.362619D+01  0.565879D+01 -0.148958D+02  0.642353D+01
      2  -0.125499D+02  0.435077D+01 -0.926543D+01  0.233250D+02 -0.878263D+01
      3   0.473850D+01 -0.724574D+00  0.360664D+01 -0.842922D+01  0.235910D+01
      4   0.100894D+02 -0.505478D+01  0.830109D+01 -0.964150D+01  0.443444D+01
      5  -0.333439D+01  0.379413D+01 -0.191575D+01  0.308634D+01 -0.176262D+01
      6   0.879377D+01 -0.725042D+01  0.661525D+01 -0.141983D+02  0.103946D+02
               106           107           108           109           110 
      1  -0.440344D+01  0.974276D+01 -0.845760D+01 -0.117756D+01  0.256548D+01
      2   0.475840D+01 -0.110989D+02  0.650470D+01  0.180516D+01 -0.419012D+01
      3  -0.354961D+00  0.135613D+01  0.195290D+01 -0.627601D+00  0.162464D+01
      4  -0.558954D+01  0.587469D+01 -0.548673D+01 -0.305653D+00  0.302489D+01
      5   0.338144D+01 -0.285579D+01  0.307543D+01 -0.113324D+01 -0.533800D-02
      6  -0.742310D+01  0.144746D+02 -0.125992D+02  0.148387D+01 -0.206056D+01
               111           112           113           114           115 
      1   0.122639D+01  0.106995D+01 -0.527054D+01 -0.297775D+01  0.621297D+00
      2  -0.181865D+01 -0.178174D+01  0.780569D+01  0.450239D+01 -0.152949D+01
      3   0.592262D+00  0.711798D+00 -0.253515D+01 -0.152463D+01  0.908192D+00
      4   0.119395D+01  0.308286D+01 -0.218185D+01 -0.146535D+01  0.336175D+01
      5   0.135953D+01  0.479540D-01 -0.363102D+00 -0.320794D+00  0.731127D+00
      6  -0.422387D+01 -0.165990D+01  0.475929D+01  0.721153D+01 -0.357510D+01
               116           117           118           119           120 
      1  -0.728590D+01 -0.705888D+01  0.359830D+01  0.262391D+01  0.164139D+01
      2   0.972941D+01  0.486839D+01 -0.363741D+01 -0.195456D+01 -0.318036D+01
      3  -0.244352D+01  0.219048D+01  0.391125D-01 -0.669343D+00  0.153897D+01
      4  -0.238132D+01 -0.322739D+01  0.467386D+01  0.792037D+01  0.176278D+01
      5  -0.676029D+00 -0.332178D+00  0.669841D+01  0.451928D+01  0.780239D+01
      6   0.840118D+01  0.177200D+02  0.272049D+01  0.648652D+01  0.225938D+01
               121           122           123           124           125 
      1   0.436702D+01 -0.198165D+01 -0.409078D+01  0.651172D+00 -0.247704D+01
      2  -0.366398D+01  0.116348D+01 -0.528425D+01 -0.174949D+01 -0.220795D+01
      3  -0.703043D+00  0.818175D+00  0.937502D+01  0.109832D+01  0.468499D+01
      4   0.786158D+01  0.151778D+02  0.706343D+01  0.874541D+00  0.420945D+01
      5   0.788456D+01  0.111841D+02  0.998257D+01  0.543517D+01  0.480767D+01
      6   0.690962D+01  0.181810D+02  0.102434D+02  0.212210D+01  0.871497D+01
               126           127           128           129           130 
      1  -0.254996D+01 -0.928080D+01 -0.370975D+01  0.135021D+02 -0.262946D+01
      2  -0.242702D+01 -0.996124D+00  0.136616D+01  0.386501D+01  0.139465D+01
      3   0.497698D+01  0.102769D+02  0.234358D+01 -0.173671D+02  0.123481D+01
      4   0.367133D+01  0.434571D+01  0.249503D+01 -0.299805D+01  0.352979D+01
      5   0.463216D+01 -0.124591D+02 -0.269369D+01  0.575403D+01 -0.277883D+01
      6   0.523449D+01 -0.543652D+01 -0.474817D+01  0.558115D+01 -0.255208D+01
               131           132           133           134           135 
      1  -0.312857D+01  0.281489D+01  0.938683D+01  0.259905D+01 -0.125159D+02
      2   0.834577D+00 -0.336673D+00  0.219762D+01 -0.169496D+00 -0.518919D+01
      3   0.229399D+01 -0.247822D+01 -0.115844D+02 -0.242956D+01  0.177051D+02
      4   0.129180D+01  0.719965D+00 -0.222248D+01  0.331675D+00  0.169309D+01
      5   0.448480D+00  0.169281D+00  0.827975D+01  0.720433D+00 -0.480945D+01
      6  -0.243258D+01  0.605958D+01  0.320888D+01  0.548375D+01 -0.501714D+01
               136           137           138           139           140 
      1   0.114710D+02 -0.410824D+01  0.245750D+01 -0.523944D+01 -0.140076D+01
      2  -0.858400D+01  0.136043D+01 -0.662255D+01  0.179086D+01  0.396223D+01
      3  -0.288705D+01  0.274781D+01  0.416505D+01  0.344857D+01 -0.256147D+01
      4  -0.138831D+02  0.129792D+02 -0.786710D+01  0.138996D+02 -0.145827D+02
      5   0.193319D+02 -0.112364D+02  0.168459D+02 -0.129262D+02  0.129178D+02
      6  -0.103802D+02  0.108633D+02 -0.838627D+01  0.106258D+02 -0.144748D+02
               141           142           143           144           145 
      1   0.317764D+01  0.199611D+01  0.209389D+01 -0.208468D+01  0.124631D+00
      2   0.233130D+01 -0.488383D+01  0.186897D+01 -0.550108D+01 -0.204137D+01
      3  -0.550894D+01  0.288772D+01 -0.396286D+01  0.758576D+01  0.191673D+01
      4   0.906098D+01 -0.537410D+01  0.612259D+01 -0.726153D+01 -0.164516D+01
      5  -0.121321D+02  0.128005D+02 -0.832104D+01  0.124277D+02 -0.241874D+01
      6   0.129630D+02 -0.641300D+01  0.963673D+01 -0.974623D+01  0.132889D+01
               146           147           148           149           150 
      1  -0.210173D+01 -0.452767D+01 -0.318147D+01 -0.237951D+00 -0.309231D+01
      2   0.980674D+00  0.206193D+01  0.150947D+01 -0.620905D+00 -0.167061D+00
      3   0.112105D+01  0.246574D+01  0.167200D+01  0.858857D+00  0.325937D+01
      4   0.259846D+01  0.648867D+00  0.521045D+01 -0.167216D+01 -0.498850D+01
      5   0.555087D+00  0.507660D+01  0.194110D+01 -0.463744D+01 -0.604567D+01
      6   0.243054D+00  0.528329D+00 -0.144066D+01  0.330848D+01  0.778752D+01
               151           152           153           154           155 
      1  -0.713747D+01 -0.279279D+01 -0.144831D+02  0.114828D+02  0.802087D+01
      2   0.718536D+01 -0.284416D+00 -0.180587D+02 -0.312056D+01 -0.305736D+01
      3  -0.478908D-01  0.307721D+01  0.325418D+02 -0.836227D+01 -0.496351D+01
      4   0.213991D+01 -0.641602D+01 -0.607725D+01  0.819509D+01  0.136757D+02
      5   0.142166D+02 -0.561508D+01 -0.429127D+02  0.226553D+00 -0.154486D+01
      6  -0.239228D+01  0.803224D+01  0.122418D+02 -0.179098D+01 -0.243325D+01
               156           157           158           159           160 
      1   0.163693D+01  0.177749D+02  0.103524D+02 -0.110290D+01  0.555408D+01
      2  -0.430167D+00 -0.757281D+01  0.185264D+01  0.180945D+01 -0.198503D+01
      3  -0.120676D+01 -0.102021D+02 -0.122050D+02 -0.706550D+00 -0.356906D+01
      4  -0.561717D+00  0.173346D+02  0.308444D+02 -0.358806D-01  0.271401D+00
      5   0.232354D+01 -0.448817D+01 -0.502159D+00  0.773407D+01  0.327547D+01
      6   0.598810D+00 -0.250884D+01 -0.700996D+01  0.238608D+01  0.119781D+01
               161           162           163           164           165 
      1   0.318677D+00 -0.360219D+00  0.448520D+02 -0.165778D+02  0.710707D+01
      2   0.418781D+00 -0.135226D+01 -0.171552D+02  0.394640D+01 -0.222087D+01
      3  -0.737457D+00  0.171248D+01 -0.276968D+02  0.126314D+02 -0.488620D+01
      4   0.279801D+01  0.325191D+01 -0.247037D+02  0.193030D+02 -0.372121D+01
      5   0.372932D+01 -0.192131D+01  0.317385D+01 -0.145511D+01  0.763273D+01
      6   0.259942D+01  0.681282D+00  0.964976D+00 -0.167944D+01 -0.159929D+01
               166           167           168           169           170 
      1  -0.237584D+02  0.128880D+02 -0.253275D+01  0.166795D+02 -0.494886D+01
      2   0.655086D+01  0.128259D+01 -0.984677D+00 -0.637673D+01  0.438566D-01
      3   0.172076D+02 -0.141706D+02  0.351743D+01 -0.103028D+02  0.490501D+01
      4   0.238407D+02 -0.193585D+02  0.405787D+01 -0.880268D+01  0.786145D+01
      5  -0.626831D+00  0.223785D+01 -0.778133D+01  0.768006D+01 -0.540070D+01
      6  -0.151425D+01  0.339550D+00  0.299589D+01 -0.181314D+01  0.201894D+01
               171 
      1   0.394459D+01
      2  -0.284843D+01
      3  -0.109616D+01
      4  -0.609551D+01
      5   0.425601D+01
      6  -0.114202D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:06:08 2021, MaxMem=  5368709120 cpu:            8277.1 elap:            1035.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32406 -19.26699 -14.43595 -10.44096 -10.34552
 Alpha  occ. eigenvalues --  -10.31013 -10.28772 -10.28315  -1.21420  -1.12168
 Alpha  occ. eigenvalues --   -0.99587  -0.89201  -0.80988  -0.77887  -0.70940
 Alpha  occ. eigenvalues --   -0.65613  -0.61605  -0.59911  -0.58471  -0.55689
 Alpha  occ. eigenvalues --   -0.53325  -0.51919  -0.50700  -0.50117  -0.46890
 Alpha  occ. eigenvalues --   -0.46367  -0.43186  -0.42849  -0.41883  -0.41048
 Alpha  occ. eigenvalues --   -0.37867  -0.33976
 Alpha virt. eigenvalues --    0.06515   0.07166   0.09499   0.11072   0.11270
 Alpha virt. eigenvalues --    0.13565   0.14648   0.15420   0.15783   0.16446
 Alpha virt. eigenvalues --    0.17933   0.18833   0.19726   0.20137   0.20669
 Alpha virt. eigenvalues --    0.21258   0.22481   0.23255   0.24057   0.24813
 Alpha virt. eigenvalues --    0.25188   0.26155   0.26663   0.27498   0.27635
 Alpha virt. eigenvalues --    0.29227   0.30324   0.30696   0.31379   0.32425
 Alpha virt. eigenvalues --    0.33487   0.34445   0.34929   0.36360   0.37225
 Alpha virt. eigenvalues --    0.37429   0.38449   0.38804   0.38995   0.40206
 Alpha virt. eigenvalues --    0.40622   0.40821   0.41819   0.42206   0.42938
 Alpha virt. eigenvalues --    0.43311   0.44360   0.44905   0.45342   0.45916
 Alpha virt. eigenvalues --    0.46615   0.46918   0.47325   0.47979   0.48881
 Alpha virt. eigenvalues --    0.49816   0.50025   0.50545   0.52015   0.52567
 Alpha virt. eigenvalues --    0.53154   0.53645   0.54816   0.55677   0.55792
 Alpha virt. eigenvalues --    0.57104   0.57917   0.58147   0.58937   0.60205
 Alpha virt. eigenvalues --    0.60331   0.61134   0.61410   0.61805   0.63042
 Alpha virt. eigenvalues --    0.63228   0.63807   0.64486   0.65387   0.66744
 Alpha virt. eigenvalues --    0.67331   0.68354   0.69049   0.70071   0.70776
 Alpha virt. eigenvalues --    0.70905   0.71972   0.73216   0.74721   0.75537
 Alpha virt. eigenvalues --    0.76166   0.77759   0.78995   0.79401   0.80236
 Alpha virt. eigenvalues --    0.80398   0.81367   0.82838   0.84369   0.86066
 Alpha virt. eigenvalues --    0.87493   0.87879   0.89714   0.90630   0.92366
 Alpha virt. eigenvalues --    0.95700   0.98096   1.01481   1.02581   1.03297
 Alpha virt. eigenvalues --    1.05219   1.06853   1.09589   1.10483   1.12309
 Alpha virt. eigenvalues --    1.13532   1.14294   1.15350   1.15562   1.17293
 Alpha virt. eigenvalues --    1.19656   1.21821   1.24232   1.26863   1.28693
 Alpha virt. eigenvalues --    1.31221   1.32226   1.32751   1.37356   1.39203
 Alpha virt. eigenvalues --    1.40658   1.43191   1.44956   1.46701   1.48917
 Alpha virt. eigenvalues --    1.50814   1.54481   1.55255   1.60017   1.62079
 Alpha virt. eigenvalues --    1.66134   1.68809   1.69950   1.70699   1.72324
 Alpha virt. eigenvalues --    1.74670   1.75612   1.80892   1.81594   1.83953
 Alpha virt. eigenvalues --    1.85180   1.86871   1.89913   1.91856   1.93563
 Alpha virt. eigenvalues --    1.94882   1.95840   1.96475   1.97469   2.01142
 Alpha virt. eigenvalues --    2.01519   2.04253   2.05739   2.06385   2.09252
 Alpha virt. eigenvalues --    2.10889   2.12277   2.13268   2.14778   2.17174
 Alpha virt. eigenvalues --    2.17451   2.19344   2.21034   2.24161   2.25528
 Alpha virt. eigenvalues --    2.27709   2.29641   2.30031   2.32645   2.34513
 Alpha virt. eigenvalues --    2.36288   2.40032   2.40452   2.44211   2.45970
 Alpha virt. eigenvalues --    2.49896   2.50477   2.51764   2.55096   2.57052
 Alpha virt. eigenvalues --    2.62186   2.64660   2.69031   2.72595   2.75983
 Alpha virt. eigenvalues --    2.76330   2.78089   2.81243   2.89846   2.94335
 Alpha virt. eigenvalues --    2.96301   2.97598   3.02092   3.06597   3.07713
 Alpha virt. eigenvalues --    3.09056   3.10851   3.11722   3.17554   3.19445
 Alpha virt. eigenvalues --    3.21872   3.26029   3.28063   3.28804   3.33232
 Alpha virt. eigenvalues --    3.35980   3.46829   3.52969   3.71095   3.74670
 Alpha virt. eigenvalues --    3.91749   4.03689
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.224677   0.285850  -0.000789   0.025250   0.008512  -0.019269
     2  C    0.285850   5.819197   0.337843  -0.086832  -0.029530   0.421459
     3  C   -0.000789   0.337843   5.690457  -0.159986  -0.087335  -0.000917
     4  C    0.025250  -0.086832  -0.159986   5.320179   0.045326  -0.052054
     5  O    0.008512  -0.029530  -0.087335   0.045326   8.358147   0.006411
     6  C   -0.019269   0.421459  -0.000917  -0.052054   0.006411   4.169146
     7  N    0.039490  -0.163181  -0.342649   0.095864   0.014028  -0.027654
     8  O    0.001912  -0.013211  -0.018213   0.210469  -0.008435  -0.000216
     9  H   -0.067093   0.088147   0.262475  -0.111179  -0.066436   0.022274
    10  H   -0.061082   0.268017  -0.052212  -0.041645  -0.030856  -0.024379
    11  H   -0.000768   0.006041   0.021903   0.115171   0.153386  -0.001886
    12  H    0.001495   0.009925   0.239137  -0.011276   0.002537   0.004917
    13  H   -0.012376  -0.041729   0.223681  -0.115507  -0.007882   0.016391
    14  H   -0.002491   0.113451  -0.009047  -0.013625  -0.002103   0.233743
    15  H    0.009542   0.063336  -0.025293   0.027405  -0.002257   0.304857
    16  H   -0.008151   0.094499   0.004617   0.006407   0.005116   0.162116
    17  H    0.357752  -0.005963  -0.003225   0.007889   0.004034   0.007249
    18  H    0.172530   0.183296  -0.018057   0.002290  -0.001490  -0.014737
    19  H    0.190247   0.141881   0.012154  -0.004443  -0.000668  -0.021597
               7          8          9         10         11         12
     1  C    0.039490   0.001912  -0.067093  -0.061082  -0.000768   0.001495
     2  C   -0.163181  -0.013211   0.088147   0.268017   0.006041   0.009925
     3  C   -0.342649  -0.018213   0.262475  -0.052212   0.021903   0.239137
     4  C    0.095864   0.210469  -0.111179  -0.041645   0.115171  -0.011276
     5  O    0.014028  -0.008435  -0.066436  -0.030856   0.153386   0.002537
     6  C   -0.027654  -0.000216   0.022274  -0.024379  -0.001886   0.004917
     7  N    8.042334  -0.020370   0.003259   0.023444  -0.001647  -0.272821
     8  O   -0.020370   8.376779   0.001548   0.001931  -0.046636  -0.002403
     9  H    0.003259   0.001548   0.881123   0.051464   0.006402  -0.050199
    10  H    0.023444   0.001931   0.051464   1.089586  -0.000480  -0.005973
    11  H   -0.001647  -0.046636   0.006402  -0.000480   0.553217   0.000059
    12  H   -0.272821  -0.002403  -0.050199  -0.005973   0.000059   0.992232
    13  H   -0.244266   0.038164   0.038718   0.003813   0.000965   0.032682
    14  H   -0.035920  -0.011025  -0.001963  -0.009683   0.000243   0.003511
    15  H   -0.005658   0.001130  -0.002386  -0.011853  -0.001198   0.001644
    16  H    0.018030   0.001680  -0.003475   0.033446  -0.000390  -0.000523
    17  H    0.010784  -0.000440  -0.024166  -0.024711  -0.000071   0.000189
    18  H    0.002705  -0.000219  -0.001195  -0.004555   0.000067  -0.000612
    19  H   -0.005002   0.000556   0.007843   0.037578  -0.000041  -0.000070
              13         14         15         16         17         18
     1  C   -0.012376  -0.002491   0.009542  -0.008151   0.357752   0.172530
     2  C   -0.041729   0.113451   0.063336   0.094499  -0.005963   0.183296
     3  C    0.223681  -0.009047  -0.025293   0.004617  -0.003225  -0.018057
     4  C   -0.115507  -0.013625   0.027405   0.006407   0.007889   0.002290
     5  O   -0.007882  -0.002103  -0.002257   0.005116   0.004034  -0.001490
     6  C    0.016391   0.233743   0.304857   0.162116   0.007249  -0.014737
     7  N   -0.244266  -0.035920  -0.005658   0.018030   0.010784   0.002705
     8  O    0.038164  -0.011025   0.001130   0.001680  -0.000440  -0.000219
     9  H    0.038718  -0.001963  -0.002386  -0.003475  -0.024166  -0.001195
    10  H    0.003813  -0.009683  -0.011853   0.033446  -0.024711  -0.004555
    11  H    0.000965   0.000243  -0.001198  -0.000390  -0.000071   0.000067
    12  H    0.032682   0.003511   0.001644  -0.000523   0.000189  -0.000612
    13  H    0.983311   0.019996  -0.008935  -0.003625  -0.000921  -0.006404
    14  H    0.019996   0.687938   0.003457  -0.054466  -0.002796   0.019570
    15  H   -0.008935   0.003457   0.762766  -0.066303  -0.001754  -0.001345
    16  H   -0.003625  -0.054466  -0.066303   0.809284   0.006545  -0.017373
    17  H   -0.000921  -0.002796  -0.001754   0.006545   0.754442  -0.066151
    18  H   -0.006404   0.019570  -0.001345  -0.017373  -0.066151   0.658737
    19  H    0.001648  -0.014050   0.000851   0.015570  -0.063956   0.000086
              19
     1  C    0.190247
     2  C    0.141881
     3  C    0.012154
     4  C   -0.004443
     5  O   -0.000668
     6  C   -0.021597
     7  N   -0.005002
     8  O    0.000556
     9  H    0.007843
    10  H    0.037578
    11  H   -0.000041
    12  H   -0.000070
    13  H    0.001648
    14  H   -0.014050
    15  H    0.000851
    16  H    0.015570
    17  H   -0.063956
    18  H    0.000086
    19  H    0.758154
 Mulliken charges:
               1
     1  C    0.854762
     2  C   -1.492496
     3  C   -0.074542
     4  C    0.740295
     5  O   -0.360505
     6  C    0.814144
     7  N   -0.130770
     8  O   -0.513001
     9  H   -0.035161
    10  H   -0.241848
    11  H    0.195664
    12  H    0.055547
    13  H    0.082275
    14  H    0.075260
    15  H   -0.048005
    16  H   -0.003005
    17  H    0.045270
    18  H    0.092858
    19  H   -0.056742
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.936147
     2  C   -1.734345
     3  C   -0.109702
     4  C    0.740295
     5  O   -0.164841
     6  C    0.838395
     7  N    0.007052
     8  O   -0.513001
 Electronic spatial extent (au):  <R**2>=           1049.6959
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2149    Y=             -1.0987    Z=             -0.8407  Tot=              1.4001
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.6850   YY=            -48.6161   ZZ=            -49.8937
   XY=              1.6212   XZ=              3.2751   YZ=             -2.0631
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.9534   YY=              1.1155   ZZ=             -0.1621
   XY=              1.6212   XZ=              3.2751   YZ=             -2.0631
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -23.2899  YYY=              2.9278  ZZZ=             -4.1705  XYY=            -14.1658
  XXY=            -19.6337  XXZ=             -5.2690  XZZ=             -1.7281  YZZ=              3.4228
  YYZ=              1.0911  XYZ=              5.0674
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -753.2145 YYYY=           -289.4592 ZZZZ=           -264.8269 XXXY=             51.7903
 XXXZ=             23.7043 YYYX=              0.9531 YYYZ=             -1.5756 ZZZX=             -0.8101
 ZZZY=             -0.1919 XXYY=           -167.2045 XXZZ=           -184.4986 YYZZ=            -91.4334
 XXYZ=             -5.3623 YYXZ=              5.2756 ZZXY=             -1.1468
 N-N= 4.078384543272D+02 E-N=-1.752436301861D+03  KE= 3.977970788190D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:06:09 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3255    1.3245       -0.0084   -0.0067
 2     -1.3255   -1.3245       -0.9460   -0.9476       -5.1071   -5.1035
 3      0.0084    0.0067        6.3332    6.3319        0.9475    0.9476
 4      0.9460    0.9476        0.0000    0.0000        0.0045    0.0067
 5     -1.2261   -1.2284       -0.0045   -0.0067        1.3246    1.3245
 6     -0.9475   -0.9476       -1.3246   -1.3245        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.9736   -3.9736       -0.0201   -0.0201
 2      2.8427    2.8427        0.0000    0.0000       -0.0201   -0.0201
 3      2.8427    2.8427       -3.9736   -3.9736        0.0000    0.0000
 4     -3.9736   -3.9736       -2.8427   -2.8427      -15.3105  -15.3105
 5      0.0201    0.0201       18.9957   18.9957        2.8427    2.8427
 6     -3.6852   -3.6852       -0.0201   -0.0201        3.9736    3.9736
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2537    0.0000       -5.4194   -5.2981        0.2476    0.0269
 2      5.3325    5.2981        4.0226    3.7903       20.5203   20.4140
 3     -0.3052   -0.0269      -25.3618  -25.3276       -3.7198   -3.7903
 4     -4.0748   -3.7903        0.1059    0.0000       -0.0172   -0.0269
 5      4.9875    4.9136        0.1557    0.0269       -5.5020   -5.2981
 6      3.6088    3.7903        5.1476    5.2981        0.0348    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1592    0.0000        6.1894    6.1818       -6.1474   -6.1604
 2     -5.8692   -6.1818        7.4520    7.5593        8.5297    8.4573
 3      6.1203    6.1604       17.8688   17.9473       -8.1772   -7.5593
 4     -7.5703   -7.5593        0.0254    0.0000        6.2413    6.1604
 5    -26.8227  -26.4046       -6.3824   -6.1604        6.2581    6.1818
 6      7.6828    7.5593       -6.1972   -6.1818       -0.0330    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.0320   -9.2809       18.3142   18.2262       11.4859   11.6316
 2    -26.7500  -26.7708       25.9139   25.7647       11.5172   11.6316
 3    -26.5874  -26.7708       18.3158   18.2262       16.1920   16.2251
 4     -7.3311   -7.5385       17.4253   17.4899       18.8878   18.9770
 5      4.5617    4.5935       33.6904   33.6400      -18.2641  -17.4899
 6    -52.8810  -52.6171       -4.7282   -4.5935        7.3213    7.5385
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.8418                 0.4368                 0.5762
  Dep-P Fr= 1--      0.7453                 0.7483                 0.6115
  Dep-U Fr= 1--      0.8541                 0.8560                 0.7589
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0015
 Beta2  Fr= 1--      0.1198                 0.0623                 0.0729
 AlphaG Fr= 1--     -0.0005                -0.0000                 0.0002
 Gamma2 Fr= 1--     -0.1134                 0.2144                 0.1596
 Delta2 Fr= 1--     -0.1730                 0.1690                 0.0746
 Raman1 Fr= 1--       3.367                  1.747                  2.305
 ROA1   Fr= 1--     -16.422                 25.994                 17.712
 CID1   Fr= 1--      -4.877                 14.877                  7.685
 Raman2 Fr= 1--       1.438                  0.748                  0.874
 ROA2   Fr= 1--      -1.338                  3.795                  3.235
 CID2   Fr= 1--      -0.931                  5.075                  3.699
 Raman3 Fr= 1--       2.876                  1.496                  1.749
 ROA3   Fr= 1--     -16.422                 25.994                 17.712
 CID3   Fr= 1--      -5.710                 17.380                 10.127
 RC180  Fr= 1--       0.708                  0.712                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.2016                 0.0314                 0.0516
  Dep-P Fr= 1--      0.6597                 0.1599                 0.7483
  Dep-U Fr= 1--      0.7950                 0.2757                 0.8560
 Alpha2 Fr= 1--      0.0003                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0267                 0.0014                 0.0074
 AlphaG Fr= 1--     -0.0010                -0.0003                 0.0002
 Gamma2 Fr= 1--     -0.1496                -0.0008                -0.0274
 Delta2 Fr= 1--      0.1149                -0.0228                 0.0300
 Raman1 Fr= 1--       0.806                  0.126                  0.207
 ROA1   Fr= 1--     -10.687                 -0.812                 -1.668
 CID1   Fr= 1--     -13.253                 -6.464                 -8.077
 Raman2 Fr= 1--       0.321                  0.017                  0.088
 ROA2   Fr= 1--      -4.510                  0.162                 -0.897
 CID2   Fr= 1--     -14.069                  9.373                -10.151
 Raman3 Fr= 1--       0.641                  0.035                  0.177
 ROA3   Fr= 1--     -10.687                 -0.812                 -1.668
 CID3   Fr= 1--     -16.671                -23.450                 -9.435
 RC180  Fr= 1--       0.590                 -0.449                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.4257                 0.3240                 1.3483
  Dep-P Fr= 1--      0.2110                 0.5214                 0.2822
  Dep-U Fr= 1--      0.3485                 0.6855                 0.4401
 Alpha2 Fr= 1--      0.0056                 0.0014                 0.0146
 Beta2  Fr= 1--      0.0247                 0.0370                 0.0989
 AlphaG Fr= 1--     -0.0071                -0.0006                -0.0009
 Gamma2 Fr= 1--     -0.1010                 0.1248                 0.0316
 Delta2 Fr= 1--     -0.0519                 0.1069                -0.1103
 Raman1 Fr= 1--       1.703                  1.296                  5.393
 ROA1   Fr= 1--     -11.357                 15.406                 -0.492
 CID1   Fr= 1--      -6.669                 11.886                 -0.091
 Raman2 Fr= 1--       0.297                  0.444                  1.187
 ROA2   Fr= 1--      -2.008                  2.141                  1.641
 CID2   Fr= 1--      -6.767                  4.819                  1.383
 Raman3 Fr= 1--       0.594                  0.888                  2.374
 ROA3   Fr= 1--     -11.357                 15.406                 -0.492
 CID3   Fr= 1--     -19.135                 17.341                 -0.207
 RC180  Fr= 1--      -0.303                  0.371                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.4596                 2.2793                 1.4734
  Dep-P Fr= 1--      0.4074                 0.1808                 0.2636
  Dep-U Fr= 1--      0.5790                 0.3063                 0.4173
 Alpha2 Fr= 1--      0.0033                 0.0326                 0.0168
 Beta2  Fr= 1--      0.0443                 0.1164                 0.1025
 AlphaG Fr= 1--     -0.0125                 0.0030                 0.0013
 Gamma2 Fr= 1--      0.1538                 0.1811                -0.8225
 Delta2 Fr= 1--     -0.0379                -0.0614                 0.1014
 Raman1 Fr= 1--       1.838                  9.117                  5.894
 ROA1   Fr= 1--      13.552                 15.425                -75.713
 CID1   Fr= 1--       7.372                  1.692                -12.847
 Raman2 Fr= 1--       0.532                  1.396                  1.230
 ROA2   Fr= 1--       3.994                  4.839                -20.551
 CID2   Fr= 1--       7.505                  3.466                -16.713
 Raman3 Fr= 1--       1.064                  2.792                  2.459
 ROA3   Fr= 1--      13.552                 15.425                -75.713
 CID3   Fr= 1--      12.733                  5.524                -30.787
 RC180  Fr= 1--       0.158                 -0.387                 -0.165
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      0.8968                 2.3363                13.7424
  Dep-P Fr= 1--      0.7333                 0.5922                 0.0224
  Dep-U Fr= 1--      0.8461                 0.7439                 0.0439
 Alpha2 Fr= 1--      0.0003                 0.0069                 0.2898
 Beta2  Fr= 1--      0.1265                 0.2896                 0.1005
 AlphaG Fr= 1--     -0.0013                -0.0218                 0.1252
 Gamma2 Fr= 1--     -0.0956                -0.3205                -0.1425
 Delta2 Fr= 1--      0.2669                 0.1247                 0.0012
 Raman1 Fr= 1--       3.587                  9.345                 54.970
 ROA1   Fr= 1--      -0.634                -26.779                -13.643
 CID1   Fr= 1--      -0.177                 -2.866                 -0.248
 Raman2 Fr= 1--       1.518                  3.476                  1.206
 ROA2   Fr= 1--      -4.429                 -8.690                 -3.430
 CID2   Fr= 1--      -2.918                 -2.500                 -2.843
 Raman3 Fr= 1--       3.035                  6.952                  2.412
 ROA3   Fr= 1--      -0.634                -26.779                -13.643
 CID3   Fr= 1--      -0.209                 -3.852                 -5.656
 RC180  Fr= 1--       0.692                  0.488                 -0.912
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      5.4961                 1.4637                 2.0504
  Dep-P Fr= 1--      0.0658                 0.4203                 0.7459
  Dep-U Fr= 1--      0.1235                 0.5919                 0.8544
 Alpha2 Fr= 1--      0.1045                 0.0101                 0.0001
 Beta2  Fr= 1--      0.1131                 0.1444                 0.2920
 AlphaG Fr= 1--     -0.0174                -0.0064                 0.0004
 Gamma2 Fr= 1--     -0.2278                -0.0148                 0.5343
 Delta2 Fr= 1--     -0.2511                 0.3620                 0.5262
 Raman1 Fr= 1--      21.985                  5.855                  8.202
 ROA1   Fr= 1--     -29.904                 10.164                 68.134
 CID1   Fr= 1--      -1.360                  1.736                  8.307
 Raman2 Fr= 1--       1.357                  1.733                  3.504
 ROA2   Fr= 1--      -3.458                 -3.251                  8.615
 CID2   Fr= 1--      -2.548                 -1.877                  2.459
 Raman3 Fr= 1--       2.714                  3.465                  7.008
 ROA3   Fr= 1--     -29.904                 10.164                 68.134
 CID3   Fr= 1--     -11.017                  2.933                  9.723
 RC180  Fr= 1--      -0.753                  0.184                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.4300                 4.4410                 2.3224
  Dep-P Fr= 1--      0.3465                 0.6972                 0.7296
  Dep-U Fr= 1--      0.5147                 0.8216                 0.8437
 Alpha2 Fr= 1--      0.0038                 0.0041                 0.0008
 Beta2  Fr= 1--      0.0369                 0.6081                 0.3266
 AlphaG Fr= 1--     -0.0063                -0.0088                -0.0053
 Gamma2 Fr= 1--      0.1353                -0.6527                 0.4351
 Delta2 Fr= 1--      0.1703                -0.0384                 0.2757
 Raman1 Fr= 1--       1.720                 17.764                  9.290
 ROA1   Fr= 1--      18.444                -63.891                 50.595
 CID1   Fr= 1--      10.723                 -3.597                  5.446
 Raman2 Fr= 1--       0.443                  7.298                  3.919
 ROA2   Fr= 1--       1.886                -15.358                  8.238
 CID2   Fr= 1--       4.260                 -2.104                  2.102
 Raman3 Fr= 1--       0.885                 14.595                  7.837
 ROA3   Fr= 1--      18.444                -63.891                 50.595
 CID3   Fr= 1--      20.834                 -4.378                  6.456
 RC180  Fr= 1--       0.029                  0.643                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      3.4924                 4.2263                 1.5991
  Dep-P Fr= 1--      0.3896                 0.5591                 0.5601
  Dep-U Fr= 1--      0.5608                 0.7172                 0.7181
 Alpha2 Fr= 1--      0.0268                 0.0153                 0.0058
 Beta2  Fr= 1--      0.3264                 0.5052                 0.1914
 AlphaG Fr= 1--     -0.0131                -0.0106                -0.0140
 Gamma2 Fr= 1--      0.6654                -0.6889                 0.1208
 Delta2 Fr= 1--      0.5035                -0.3975                -0.2051
 Raman1 Fr= 1--      13.970                 16.905                  6.396
 ROA1   Fr= 1--      79.992                -78.857                  5.031
 CID1   Fr= 1--       5.726                 -4.665                  0.786
 Raman2 Fr= 1--       3.917                  6.063                  2.296
 ROA2   Fr= 1--      11.943                -13.355                  4.539
 CID2   Fr= 1--       3.049                 -2.203                  1.976
 Raman3 Fr= 1--       7.834                 12.125                  4.593
 ROA3   Fr= 1--      79.992                -78.857                  5.031
 CID3   Fr= 1--      10.212                 -6.504                  1.095
 RC180  Fr= 1--       0.122                  0.434                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      3.5017                 2.0007                 1.1288
  Dep-P Fr= 1--      0.5111                 0.5851                 0.5805
  Dep-U Fr= 1--      0.6765                 0.7383                 0.7345
 Alpha2 Fr= 1--      0.0164                 0.0062                 0.0036
 Beta2  Fr= 1--      0.3948                 0.2462                 0.1382
 AlphaG Fr= 1--     -0.0220                 0.0029                -0.0048
 Gamma2 Fr= 1--      0.0921                -0.3465                -0.0712
 Delta2 Fr= 1--     -0.0264                 0.3985                 0.1653
 Raman1 Fr= 1--      14.007                  8.003                  4.515
 ROA1   Fr= 1--       7.994                -20.511                 -1.542
 CID1   Fr= 1--       0.571                 -2.563                 -0.341
 Raman2 Fr= 1--       4.738                  2.954                  1.658
 ROA2   Fr= 1--       2.420                -11.503                 -3.030
 CID2   Fr= 1--       0.511                 -3.894                 -1.827
 Raman3 Fr= 1--       9.475                  5.909                  3.317
 ROA3   Fr= 1--       7.994                -20.511                 -1.542
 CID3   Fr= 1--       0.844                 -3.471                 -0.465
 RC180  Fr= 1--       0.353                  0.477                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      7.8802                 3.8388                 4.7020
  Dep-P Fr= 1--      0.6009                 0.5603                 0.5814
  Dep-U Fr= 1--      0.7507                 0.7182                 0.7353
 Alpha2 Fr= 1--      0.0217                 0.0138                 0.0148
 Beta2  Fr= 1--      0.9859                 0.4595                 0.5763
 AlphaG Fr= 1--     -0.0023                 0.0198                 0.0560
 Gamma2 Fr= 1--     -1.8398                 1.5492                 0.0212
 Delta2 Fr= 1--     -1.0764                -0.3295                -0.2089
 Raman1 Fr= 1--      31.521                 15.355                 18.808
 ROA1   Fr= 1--    -211.063                138.179                 -4.646
 CID1   Fr= 1--      -6.696                  8.999                 -0.247
 Raman2 Fr= 1--      11.831                  5.514                  6.915
 ROA2   Fr= 1--     -35.544                 39.817                  2.181
 CID2   Fr= 1--      -3.004                  7.221                  0.315
 Raman3 Fr= 1--      23.662                 11.028                 13.830
 ROA3   Fr= 1--    -211.063                138.179                 -4.646
 CID3   Fr= 1--      -8.920                 12.530                 -0.336
 RC180  Fr= 1--       0.501                  0.436                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      2.2889                 0.3087                 2.0259
  Dep-P Fr= 1--      0.7481                 0.5715                 0.5683
  Dep-U Fr= 1--      0.8559                 0.7273                 0.7247
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0070
 Beta2  Fr= 1--      0.3265                 0.0374                 0.2447
 AlphaG Fr= 1--     -0.0008                -0.0021                 0.0190
 Gamma2 Fr= 1--     -1.0715                -0.1744                 0.2212
 Delta2 Fr= 1--      0.3014                 0.0137                -0.1122
 Raman1 Fr= 1--       9.156                  1.235                  8.104
 ROA1   Fr= 1--     -93.215                -16.308                 17.644
 CID1   Fr= 1--     -10.181                -13.206                  2.177
 Raman2 Fr= 1--       3.918                  0.449                  2.936
 ROA2   Fr= 1--     -28.126                 -4.295                  6.206
 CID2   Fr= 1--      -7.178                 -9.564                  2.114
 Raman3 Fr= 1--       7.836                  0.898                  5.873
 ROA3   Fr= 1--     -93.215                -16.308                 17.644
 CID3   Fr= 1--     -11.895                -18.156                  3.004
 RC180  Fr= 1--       0.712                  0.455                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.3110                 6.9867                 2.1748
  Dep-P Fr= 1--      0.6269                 0.7498                 0.7371
  Dep-U Fr= 1--      0.7707                 0.8570                 0.8487
 Alpha2 Fr= 1--      0.0029                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1684                 0.9980                 0.3076
 AlphaG Fr= 1--      0.0044                 0.0009                 0.0037
 Gamma2 Fr= 1--     -0.1347                -0.0217                 0.1167
 Delta2 Fr= 1--      0.3514                -0.4173                 0.1670
 Raman1 Fr= 1--       5.244                 27.947                  8.699
 ROA1   Fr= 1--      -1.680                -15.432                 16.547
 CID1   Fr= 1--      -0.320                 -0.552                  1.902
 Raman2 Fr= 1--       2.021                 11.975                  3.691
 ROA2   Fr= 1--      -6.043                  2.818                  1.464
 CID2   Fr= 1--      -2.991                  0.235                  0.397
 Raman3 Fr= 1--       4.042                 23.951                  7.383
 ROA3   Fr= 1--      -1.680                -15.432                 16.547
 CID3   Fr= 1--      -0.416                 -0.644                  2.241
 RC180  Fr= 1--       0.541                  0.714                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      2.6382                 3.1716                 2.5279
  Dep-P Fr= 1--      0.7429                 0.7484                 0.5323
  Dep-U Fr= 1--      0.8525                 0.8561                 0.6948
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0106
 Beta2  Fr= 1--      0.3748                 0.4525                 0.2927
 AlphaG Fr= 1--      0.0020                -0.0002                -0.0040
 Gamma2 Fr= 1--     -0.1927                -0.5260                -0.3162
 Delta2 Fr= 1--      0.3696                -0.1898                 0.0209
 Raman1 Fr= 1--      10.553                 12.687                 10.111
 ROA1   Fr= 1--      -6.667                -56.568                -29.684
 CID1   Fr= 1--      -0.632                 -4.459                 -2.936
 Raman2 Fr= 1--       4.498                  5.430                  3.513
 ROA2   Fr= 1--      -7.581                -11.105                 -7.755
 CID2   Fr= 1--      -1.685                 -2.045                 -2.208
 Raman3 Fr= 1--       8.996                 10.861                  7.025
 ROA3   Fr= 1--      -6.667                -56.568                -29.684
 CID3   Fr= 1--      -0.741                 -5.208                 -4.225
 RC180  Fr= 1--       0.705                  0.712                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     15.4373                20.9250               264.8376
  Dep-P Fr= 1--      0.1688                 0.2385                 0.0076
  Dep-U Fr= 1--      0.2888                 0.3851                 0.0152
 Alpha2 Fr= 1--      0.2274                 0.2561                 5.7810
 Beta2  Fr= 1--      0.7432                 1.3431                 0.6701
 AlphaG Fr= 1--     -0.0332                 0.0026                -0.3130
 Gamma2 Fr= 1--     -0.4397                -1.5328                 0.2629
 Delta2 Fr= 1--     -0.0280                -0.9023                 0.2570
 Raman1 Fr= 1--      61.749                 83.700               1059.350
 ROA1   Fr= 1--     -43.103               -176.023                 33.468
 CID1   Fr= 1--      -0.698                 -2.103                  0.032
 Raman2 Fr= 1--       8.918                 16.117                  8.041
 ROA2   Fr= 1--     -10.328                -29.569                  4.254
 CID2   Fr= 1--      -1.158                 -1.835                  0.529
 Raman3 Fr= 1--      17.836                 32.235                 16.083
 ROA3   Fr= 1--     -43.103               -176.023                 33.468
 CID3   Fr= 1--      -2.417                 -5.461                  2.081
 RC180  Fr= 1--      -0.422                 -0.230                 -0.970
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--     92.2798               108.1308                63.4715
  Dep-P Fr= 1--      0.2846                 0.0937                 0.7438
  Dep-U Fr= 1--      0.4431                 0.1714                 0.8531
 Alpha2 Fr= 1--      0.9905                 1.9225                 0.0067
 Beta2  Fr= 1--      6.8151                 3.0881                 9.0245
 AlphaG Fr= 1--      0.0123                -0.1243                -0.0215
 Gamma2 Fr= 1--      1.0345                -3.5525                 0.3964
 Delta2 Fr= 1--      1.8352                -3.7356                 0.7324
 Raman1 Fr= 1--     369.119                432.523                253.886
 ROA1   Fr= 1--     158.033               -460.582                 61.491
 CID1   Fr= 1--       0.428                 -1.065                  0.242
 Raman2 Fr= 1--      81.781                 37.057                108.295
 ROA2   Fr= 1--      10.146                -55.376                  3.655
 CID2   Fr= 1--       0.124                 -1.494                  0.034
 Raman3 Fr= 1--     163.562                 74.114                216.589
 ROA3   Fr= 1--     158.033               -460.582                 61.491
 CID3   Fr= 1--       0.966                 -6.215                  0.284
 RC180  Fr= 1--      -0.114                 -0.657                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     56.5881                46.9812                43.5394
  Dep-P Fr= 1--      0.7358                 0.5480                 0.7240
  Dep-U Fr= 1--      0.8478                 0.7080                 0.8399
 Alpha2 Fr= 1--      0.0137                 0.1817                 0.0195
 Beta2  Fr= 1--      7.9960                 5.5436                 6.0948
 AlphaG Fr= 1--      0.0522                -0.0860                -0.0541
 Gamma2 Fr= 1--     -9.4821                11.7249                -3.4991
 Delta2 Fr= 1--     -4.0438                 8.6398                -3.3277
 Raman1 Fr= 1--     226.352                187.925                174.158
 ROA1   Fr= 1--   -1039.686               1402.061               -442.399
 CID1   Fr= 1--      -4.593                  7.461                 -2.540
 Raman2 Fr= 1--      95.952                 66.523                 73.138
 ROA2   Fr= 1--    -195.220                212.279                -57.356
 CID2   Fr= 1--      -2.035                  3.191                 -0.784
 Raman3 Fr= 1--     191.904                133.047                146.276
 ROA3   Fr= 1--   -1039.686               1402.061               -442.399
 CID3   Fr= 1--      -5.418                 10.538                 -3.024
 RC180  Fr= 1--       0.696                  0.416                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--     95.5715                48.2235               133.6212
  Dep-P Fr= 1--      0.0776                 0.6063                 0.2318
  Dep-U Fr= 1--      0.1440                 0.7549                 0.3764
 Alpha2 Fr= 1--      1.7669                 0.1278                 1.6653
 Beta2  Fr= 1--      2.2942                 6.0676                 8.3830
 AlphaG Fr= 1--      0.1142                 0.1182                -0.0298
 Gamma2 Fr= 1--      0.4627                -0.0564                -2.1485
 Delta2 Fr= 1--     -0.3716                 1.0940                -0.6165
 Raman1 Fr= 1--     382.286                192.894                534.485
 ROA1   Fr= 1--      32.532                 29.596               -225.984
 CID1   Fr= 1--       0.085                  0.153                 -0.423
 Raman2 Fr= 1--      27.530                 72.811                100.596
 ROA2   Fr= 1--      14.079                -10.104                -46.632
 CID2   Fr= 1--       0.511                 -0.139                 -0.464
 Raman3 Fr= 1--      55.060                145.623                201.192
 ROA3   Fr= 1--      32.532                 29.596               -225.984
 CID3   Fr= 1--       0.591                  0.203                 -1.123
 RC180  Fr= 1--      -0.712                  0.510                 -0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.858969D+02 -0.134289D-01 -0.264904D+01
      2  -0.134289D-01  0.756899D+02  0.189513D+01
      3  -0.264904D+01  0.189513D+01  0.732331D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.183619D+01  0.528041D+00  0.522197D-01
      2   0.563232D+01 -0.606484D+01  0.324028D+02
      3   0.612963D+01 -0.248435D+02  0.713746D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.676315D+02 -0.240638D+02  0.442855D+01
      2  -0.384562D+02  0.223630D+02 -0.117965D+02
      3  -0.291753D+02  0.170085D+01  0.736798D+01
      4  -0.241568D+02  0.368692D+02 -0.162150D+02
      5   0.116224D+02 -0.186588D+02  0.636400D+02
      6  -0.428266D+01 -0.917147D-02 -0.593059D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338749D+00  0.208938D+01 -0.363770D+01  0.337679D+01 -0.383124D+01
      2   0.208938D+01 -0.318512D+01  0.666264D+00 -0.383124D+01 -0.318461D+01
      3  -0.363770D+01  0.666264D+00  0.126559D+01  0.495199D+00 -0.115774D+01
                 6             7             8             9            10 
      1   0.495199D+00 -0.479755D+01  0.981917D+00  0.788651D-01  0.193926D+01
      2  -0.115774D+01  0.981917D+00 -0.135822D+01  0.151051D+01 -0.196752D+01
      3   0.177133D+01  0.788651D-01  0.151051D+01  0.672251D+01  0.378834D+01
                11            12            13            14            15 
      1  -0.196752D+01  0.378834D+01 -0.520507D+01  0.390962D+01 -0.130492D-01
      2   0.384556D+01 -0.139110D+00  0.390962D+01  0.452915D+01  0.201157D+01
      3  -0.139110D+00 -0.886048D+00 -0.130492D-01  0.201157D+01 -0.639541D+00
                16            17            18            19            20 
      1   0.601456D+01 -0.511854D+00 -0.376109D+00 -0.302714D+01  0.510717D+01
      2  -0.511854D+00  0.231422D+01 -0.204395D+00  0.510717D+01 -0.896064D+00
      3  -0.376109D+00 -0.204395D+00 -0.522266D+01 -0.128262D+01  0.148282D+00
                21            22            23            24            25 
      1  -0.128262D+01  0.561714D+01 -0.935687D+00  0.308760D+00 -0.346306D+01
      2   0.148282D+00 -0.935687D+00 -0.701832D+00 -0.799547D+00 -0.542569D-01
      3  -0.294506D+00  0.308760D+00 -0.799547D+00  0.161099D+01 -0.592918D+00
                26            27            28            29            30 
      1  -0.542569D-01 -0.592918D+00  0.832825D+00 -0.352677D+01 -0.803762D+00
      2  -0.159134D+01  0.113891D+01 -0.352677D+01  0.106997D+01  0.150736D+01
      3   0.113891D+01  0.602899D+01 -0.803762D+00  0.150736D+01  0.914394D+00
                31            32            33            34            35 
      1  -0.351132D+01 -0.189132D+00  0.181235D+01 -0.408557D+01  0.174928D+01
      2  -0.189132D+00 -0.584135D+00  0.594478D+00  0.174928D+01  0.101691D-01
      3   0.181235D+01  0.594478D+00 -0.126325D+01  0.142958D+01 -0.111443D+01
                36            37            38            39            40 
      1   0.142958D+01  0.545019D+01  0.187592D+01 -0.166524D+01  0.545689D+00
      2  -0.111443D+01  0.187592D+01  0.168240D+01 -0.707183D+00  0.397204D+00
      3  -0.264699D+01 -0.166524D+01 -0.707183D+00  0.317723D+00 -0.112326D+01
                41            42            43            44            45 
      1   0.397204D+00 -0.112326D+01 -0.297900D+01 -0.174723D+01 -0.794603D+00
      2  -0.392725D+01 -0.160624D+01 -0.174723D+01 -0.237589D+01 -0.152895D+01
      3  -0.160624D+01 -0.881440D+00 -0.794603D+00 -0.152895D+01 -0.246730D+01
                46            47            48            49            50 
      1   0.111657D+01  0.239851D+01 -0.445973D+01  0.265620D+01 -0.365841D+01
      2   0.239851D+01 -0.339021D+01  0.494142D+00 -0.365841D+01 -0.251072D+01
      3  -0.445973D+01  0.494142D+00  0.796473D+00  0.549199D+00 -0.298180D+01
                51            52            53            54            55 
      1   0.549199D+00 -0.381688D+01  0.297081D+00  0.723850D+00  0.213321D+01
      2  -0.298180D+01  0.297081D+00 -0.234419D+01  0.576640D+00 -0.107505D+01
      3   0.132409D+01  0.723850D+00  0.576640D+00  0.336904D+01  0.804194D+00
                56            57            58            59            60 
      1  -0.107505D+01  0.804194D+00 -0.948541D+00  0.244248D+01 -0.831535D+00
      2   0.405280D+01 -0.800479D+00  0.244248D+01  0.119424D+01  0.837884D+00
      3  -0.800479D+00  0.247234D+01 -0.831535D+00  0.837884D+00 -0.173405D+01
                61            62            63            64            65 
      1   0.116850D+01 -0.128581D+01  0.241155D+01 -0.710213D+01  0.250502D+01
      2  -0.128581D+01  0.917648D+00 -0.176141D+01  0.250502D+01 -0.261598D+01
      3   0.241155D+01 -0.176141D+01 -0.226621D+01  0.276157D+01 -0.119775D+01
                66            67            68            69            70 
      1   0.276157D+01  0.392286D+01 -0.225083D+01 -0.106472D+01  0.566804D+01
      2  -0.119775D+01 -0.225083D+01  0.423408D+01  0.170875D+01 -0.929837D+00
      3  -0.206461D+01 -0.106472D+01  0.170875D+01  0.184379D+01 -0.288849D+01
                71            72            73            74            75 
      1  -0.929837D+00 -0.288849D+01  0.541538D+00 -0.682425D+00 -0.101216D+01
      2   0.239459D+01  0.208276D+01 -0.682425D+00  0.236600D+00 -0.628132D-01
      3   0.208276D+01  0.564947D+01 -0.101216D+01 -0.628132D-01  0.125974D+00
                76            77            78            79            80 
      1  -0.133949D+01  0.261086D+00  0.217115D-01 -0.140522D+01  0.152192D-01
      2   0.261086D+00  0.553923D-01 -0.108461D+01  0.152192D-01 -0.123400D+01
      3   0.217115D-01 -0.108461D+01 -0.696828D+00  0.800898D-01 -0.248275D+00
                81            82            83            84            85 
      1   0.800898D-01 -0.141799D+01 -0.105841D+01 -0.838077D+00 -0.128490D+01
      2  -0.248275D+00 -0.105841D+01 -0.146347D+01  0.119716D-02 -0.129210D+01
      3  -0.834680D+01 -0.838077D+00  0.119716D-02 -0.272780D+00 -0.312142D-01
                86            87            88            89            90 
      1  -0.129210D+01 -0.312142D-01 -0.115375D+01 -0.427692D-01 -0.134045D+00
      2  -0.735763D+01 -0.112817D+01 -0.427692D-01 -0.110491D+01 -0.125413D+01
      3  -0.112817D+01 -0.147718D+01 -0.134045D+00 -0.125413D+01 -0.122588D+00
                91            92            93            94            95 
      1  -0.774987D+01 -0.408847D+01  0.383382D+00 -0.218059D+01 -0.195420D+01
      2  -0.408847D+01 -0.344455D+01  0.648195D-01 -0.195420D+01 -0.251417D+01
      3   0.383382D+00  0.648195D-01 -0.107822D+01  0.188426D+00 -0.452484D-02
                96            97            98            99           100 
      1   0.188426D+00  0.245216D+01  0.142490D+01 -0.102161D+01 -0.103999D+01
      2  -0.452484D-02  0.142490D+01  0.114781D+01 -0.636396D+00  0.178731D+01
      3  -0.578104D+00 -0.102161D+01 -0.636396D+00  0.333596D+00 -0.105197D+01
               101           102           103           104           105 
      1   0.178731D+01 -0.105197D+01  0.162364D+01 -0.209886D+01  0.100690D+01
      2  -0.262112D+01  0.128746D+01 -0.209886D+01  0.490355D+01 -0.198329D+01
      3   0.128746D+01 -0.116881D+01  0.100690D+01 -0.198329D+01  0.168028D+01
               106           107           108           109           110 
      1  -0.170468D+01  0.149019D+01 -0.137387D+01 -0.202602D+00  0.586670D+00
      2   0.149019D+01 -0.323272D+01  0.227305D+01  0.586670D+00 -0.738105D+00
      3  -0.137387D+01  0.227305D+01 -0.236023D+01  0.339703D+00 -0.447557D+00
               111           112           113           114           115 
      1   0.339703D+00  0.613748D+00 -0.336886D+00 -0.397183D+00  0.122494D+01
      2  -0.447557D+00 -0.336886D+00  0.170724D+01  0.101389D+01 -0.357103D+00
      3  -0.933791D+00 -0.397183D+00  0.101389D+01  0.115620D+01 -0.733921D+00
               116           117           118           119           120 
      1  -0.357103D+00 -0.733921D+00  0.124132D+01  0.880224D+00  0.111843D+01
      2   0.243344D+01  0.162967D+01  0.880224D+00  0.169261D+01  0.495871D+00
      3   0.162967D+01  0.434207D+01  0.111843D+01  0.495871D+00  0.963521D+00
               121           122           123           124           125 
      1   0.156544D+01  0.157929D+01  0.845671D+00  0.811546D+00  0.339973D+00
      2   0.157929D+01  0.500190D+01  0.189181D+01  0.339973D+00  0.135224D+01
      3   0.845671D+00  0.189181D+01  0.268621D+01  0.450388D+00  0.116591D+01
               126           127           128           129           130 
      1   0.450388D+00 -0.474959D+01 -0.826676D+00  0.241821D+01 -0.881009D+00
      2   0.116591D+01 -0.826676D+00 -0.836971D+00  0.604140D+00 -0.398037D+00
      3   0.108226D+01  0.241821D+01  0.604140D+00 -0.350723D+01  0.324943D+00
               131           132           133           134           135 
      1  -0.398037D+00  0.324943D+00  0.219796D+01  0.297131D+00 -0.199817D+01
      2  -0.391145D+00  0.103955D+01  0.297131D+00  0.853489D+00 -0.577231D+00
      3   0.103955D+01 -0.837131D+00 -0.199817D+01 -0.577231D+00  0.298452D+01
               136           137           138           139           140 
      1   0.371537D+01 -0.227264D+01  0.248245D+01 -0.268270D+01  0.241633D+01
      2  -0.227264D+01  0.234922D+01 -0.132849D+01  0.241633D+01 -0.305077D+01
      3   0.248245D+01 -0.132849D+01  0.235423D+01 -0.146022D+01  0.217066D+01
               141           142           143           144           145 
      1  -0.146022D+01  0.158964D+01 -0.944540D+00  0.158867D+01 -0.400546D-01
      2   0.217066D+01 -0.944540D+00  0.150046D+01 -0.156953D+01 -0.293067D+00
      3  -0.252794D+01  0.158867D+01 -0.156953D+01  0.217451D+01 -0.638483D+00
               146           147           148           149           150 
      1  -0.293067D+00 -0.638483D+00 -0.723399D+00  0.672237D+00  0.185100D+00
      2   0.184252D+00 -0.166205D-01  0.672237D+00 -0.363561D+00 -0.110068D+01
      3  -0.166205D-01 -0.287000D+00  0.185100D+00 -0.110068D+01 -0.138327D+01
               151           152           153           154           155 
      1  -0.173568D+01  0.214980D+00  0.164951D+01  0.162413D+01  0.139736D+01
      2   0.214980D+00 -0.129202D+01 -0.115194D+01  0.139736D+01  0.177513D+01
      3   0.164951D+01 -0.115194D+01 -0.928473D+01  0.272017D+00 -0.133423D+00
               156           157           158           159           160 
      1   0.272017D+00  0.318943D+01  0.228408D+01 -0.471586D+00  0.934113D+00
      2  -0.133423D+00  0.228408D+01  0.549626D+01  0.534188D-03  0.565330D-01
      3   0.283868D+00 -0.471586D+00  0.534188D-03  0.123818D+01  0.446301D+00
               161           162           163           164           165 
      1   0.565330D-01  0.446301D+00  0.639618D+01 -0.283652D+01  0.102145D+01
      2   0.530138D+00  0.574315D+00 -0.283652D+01  0.230304D+01 -0.436105D+00
      3   0.574315D+00 -0.443833D+00  0.102145D+01 -0.436105D+00  0.998890D+00
               166           167           168           169           170 
      1  -0.435390D+01  0.298306D+01 -0.345497D+00  0.307992D+01 -0.993814D+00
      2   0.298306D+01 -0.253598D+01  0.577469D+00 -0.993814D+00  0.107909D+01
      3  -0.345497D+00  0.577469D+00 -0.129233D+01  0.105491D+01 -0.905077D+00
               171 
      1   0.105491D+01
      2  -0.905077D+00
      3   0.474380D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.333748D+01  0.286892D+01 -0.581070D-01  0.391742D+01  0.228034D+01
      2  -0.928238D+01  0.366863D+01  0.141166D+01  0.440113D+01 -0.635746D+01
      3  -0.564699D+01  0.593958D+01 -0.227753D+00  0.132171D+02  0.112223D+02
                 6             7             8             9            10 
      1  -0.781306D+00  0.419000D+00  0.293015D+01  0.668419D-01  0.386847D+01
      2   0.513002D+01 -0.795311D+01  0.518935D+01  0.195268D+02  0.742570D+01
      3   0.165217D+01 -0.175459D+01  0.331882D+01 -0.462926D+01  0.157536D+01
                11            12            13            14            15 
      1  -0.744473D+00 -0.273837D+00 -0.671510D+00  0.271108D+01 -0.482895D+01
      2  -0.144622D+01  0.351062D+01 -0.444296D+01  0.275772D+01 -0.980703D+00
      3  -0.504597D+01 -0.135847D+01  0.982652D+00 -0.103058D+02 -0.243671D+01
                16            17            18            19            20 
      1  -0.133308D+01  0.183560D+01 -0.264318D+01 -0.475190D+01 -0.277765D-01
      2  -0.288121D+01  0.228450D-01 -0.505880D+01 -0.178765D+01  0.181352D+01
      3   0.149551D-01 -0.184845D+01  0.985292D+00  0.380656D+01 -0.411095D+01
                21            22            23            24            25 
      1  -0.123410D+01  0.630441D+00  0.209151D+01  0.413265D+00 -0.103250D+01
      2   0.191895D+01  0.471837D+01 -0.162876D+01  0.147963D+01 -0.805195D+01
      3   0.139018D+01  0.232795D+01  0.119075D+01  0.728729D+00 -0.131487D+01
                26            27            28            29            30 
      1   0.473710D+01 -0.271986D+01  0.280561D+01  0.344094D+01  0.113128D+01
      2  -0.404062D+00 -0.181797D+01 -0.671602D+01 -0.226731D+01 -0.539306D+01
      3   0.738817D+00 -0.506183D-01 -0.705453D+01  0.295931D+01 -0.155715D+01
                31            32            33            34            35 
      1   0.943312D+00 -0.760646D+01  0.454572D+00  0.119336D+01  0.352899D+01
      2   0.290223D+01  0.247775D+01  0.264279D+00 -0.120086D+02 -0.443819D+00
      3   0.397177D+01  0.261174D+01 -0.281760D+01 -0.702518D+01 -0.835447D+01
                36            37            38            39            40 
      1   0.678520D+01 -0.307410D+01 -0.846823D+00 -0.470329D+00 -0.328440D+00
      2   0.867997D+01  0.599616D+01  0.300913D+01  0.831874D+00 -0.215773D+01
      3  -0.195440D+01 -0.164620D+01 -0.795127D+00  0.728886D+00  0.566778D+01
                41            42            43            44            45 
      1   0.218845D+01 -0.494339D+01  0.211522D+01  0.315219D+01 -0.311018D+01
      2   0.246978D+01  0.203505D+01 -0.391645D+01  0.203182D+01  0.502826D+01
      3  -0.815336D+01 -0.185378D+01  0.256901D+01 -0.129861D+01 -0.285098D+01
                46            47            48            49            50 
      1   0.211927D+01 -0.630590D+01  0.157663D+01 -0.669224D+01 -0.627696D+01
      2  -0.100408D+02 -0.390206D+01  0.133957D+02 -0.262712D+01  0.244248D+01
      3  -0.399744D+01  0.170782D+01  0.881124D+00  0.578085D+01  0.532805D+01
                51            52            53            54            55 
      1  -0.884149D+01  0.107675D+01 -0.254942D+01  0.428086D+01 -0.638707D+00
      2   0.393442D+00  0.666757D+01  0.304290D+00  0.220548D+01  0.161111D+01
      3   0.382121D+01  0.107424D+01  0.287438D+01 -0.102567D+01  0.555673D+01
                56            57            58            59            60 
      1   0.105040D+01 -0.670987D+01  0.671736D+00 -0.447436D+01 -0.747349D+00
      2   0.491603D-02  0.473438D+01 -0.562298D+00  0.149830D+01 -0.632110D+00
      3  -0.872773D+01  0.157939D+01  0.269447D+01  0.605269D+01 -0.214480D+01
                61            62            63            64            65 
      1  -0.514159D+01  0.875329D+01  0.557589D+01 -0.953527D+00 -0.307716D+01
      2   0.161043D+00 -0.374709D+00  0.740845D-01 -0.923599D+00  0.239010D+01
      3   0.122460D+01 -0.297998D+01  0.695294D+01  0.178364D+01 -0.968173D+01
                66            67            68            69            70 
      1   0.175953D+01  0.447239D+00  0.239749D+01 -0.348937D+01 -0.355156D+00
      2   0.990272D+01  0.864010D+00 -0.495730D+01 -0.371685D+01  0.237125D+01
      3  -0.746575D+00  0.325680D+00  0.731389D+01  0.384582D+01  0.459982D+01
                71            72            73            74            75 
      1   0.423080D+01 -0.256211D+01  0.862166D+00 -0.247113D+00  0.253525D+00
      2  -0.346029D+01 -0.128302D+02  0.807965D+00 -0.397153D+00 -0.778234D-01
      3   0.781792D+01  0.364352D+01  0.221309D+00 -0.600339D+00 -0.551641D+00
                76            77            78            79            80 
      1  -0.287990D+00  0.139130D+00  0.298970D+00  0.839611D-03  0.366375D+01
      2  -0.131399D+01  0.257991D+00 -0.489214D-01 -0.362802D+01  0.145862D+00
      3   0.129249D+01 -0.569284D-01 -0.319000D+00  0.283136D+00 -0.141078D+00
                81            82            83            84            85 
      1   0.219727D+01 -0.123120D+01  0.981794D-01 -0.603872D+00 -0.130694D+00
      2   0.711501D+00 -0.126075D+01 -0.152316D+00  0.237173D+00 -0.268724D+00
      3  -0.109659D+00  0.375411D+01  0.174699D+01  0.881595D+00  0.601862D+01
                86            87            88            89            90 
      1  -0.228538D+00 -0.363977D+01 -0.141720D+00  0.169772D+00 -0.144810D+00
      2  -0.968050D+00 -0.111788D+01 -0.168250D+01 -0.128641D+01 -0.286200D-01
      3   0.861895D+01  0.141839D+01  0.147956D+01  0.130073D+01  0.153906D+01
                91            92            93            94            95 
      1   0.349973D+01  0.217485D+01 -0.193650D+01  0.185351D+01  0.177274D+01
      2  -0.514137D+01 -0.297551D+01  0.365625D+01 -0.222396D+01 -0.171001D+01
      3   0.256798D+01 -0.331658D+01 -0.607975D+00  0.371895D+00 -0.196931D+01
                96            97            98            99           100 
      1  -0.952751D+00 -0.175350D+01 -0.734597D+00  0.116752D+01  0.121917D+01
      2   0.147245D+01  0.276855D+01  0.178978D+01 -0.217818D+01 -0.149536D+01
      3  -0.644050D-02 -0.147701D+00  0.148403D+01 -0.272394D+00 -0.355619D+01
               101           102           103           104           105 
      1  -0.156761D+01  0.318587D+01 -0.163917D+01  0.195720D+01 -0.384248D+01
      2   0.891761D+00  0.130736D-01  0.126425D+01 -0.128104D+01  0.316667D+00
      3   0.330909D+01 -0.252361D+01  0.597905D+01 -0.504293D+01  0.301358D+01
               106           107           108           109           110 
      1   0.242634D+01 -0.233162D+01  0.404058D+01 -0.100052D+01  0.845517D+00
      2  -0.212729D+01  0.105425D+01 -0.722098D+00  0.849420D+00  0.873549D-01
      3  -0.465474D+01  0.389480D+01 -0.376587D+01 -0.100900D+01  0.216503D+00
               111           112           113           114           115 
      1   0.276689D+01  0.106754D+01 -0.259461D+01 -0.337614D+01  0.209778D+01
      2  -0.375278D+00  0.581471D-01  0.153142D+00  0.252673D+00 -0.241509D+01
      3   0.115849D+01  0.168282D+01 -0.105958D+01 -0.115297D+01  0.377312D+01
               116           117           118           119           120 
      1  -0.292594D+01 -0.118016D+02  0.198438D+01  0.364322D+01  0.665642D+00
      2   0.439607D+00  0.854631D+00 -0.288972D+00 -0.820639D+00  0.659387D+00
      3  -0.134396D+01 -0.266735D+01 -0.721876D+00 -0.342344D+01 -0.878188D+00
               121           122           123           124           125 
      1   0.287145D+01  0.122796D+02  0.180877D+01  0.107878D+01  0.400710D+01
      2  -0.270582D+01 -0.217318D+00  0.298228D+01 -0.183862D+01  0.819636D+00
      3  -0.346992D+00 -0.822508D+01 -0.230056D+01 -0.318133D+00 -0.175808D+01
               126           127           128           129           130 
      1   0.240477D+01  0.107661D+00 -0.242147D+01 -0.117557D+01 -0.778047D+00
      2   0.491404D+00  0.153358D+02  0.210411D+01 -0.643942D+01  0.192876D+01
      3  -0.175702D+01  0.376340D+01 -0.351853D+00 -0.143885D+01  0.189226D+01
               131           132           133           134           135 
      1   0.885076D-01  0.495475D+00 -0.554577D+00  0.256870D+01  0.510428D+00
      2   0.182556D+01 -0.130696D+01 -0.881203D+01 -0.126589D+01  0.623308D+01
      3   0.299514D+00 -0.125416D+01 -0.136236D+01 -0.225781D+00  0.155947D+01
               136           137           138           139           140 
      1  -0.267653D+01  0.458927D+01 -0.904413D-01  0.353378D+01 -0.471587D+01
      2  -0.365704D+01  0.217181D+01  0.113733D+01  0.360352D+01 -0.121873D+01
      3   0.339784D+00 -0.360036D+01  0.657949D+00 -0.232950D+00  0.348016D+01
               141           142           143           144           145 
      1   0.468011D+00 -0.117827D+01  0.305222D+01 -0.119942D+01 -0.825567D-01
      2  -0.183454D+01 -0.278203D+01 -0.475032D-01  0.603033D+00 -0.227029D+01
      3  -0.215752D+01 -0.177569D+00 -0.204233D+01  0.126922D+01  0.101873D+01
               146           147           148           149           150 
      1   0.184326D-02 -0.760201D-01 -0.366355D+00  0.110189D+00 -0.501368D+00
      2  -0.297815D+00 -0.873019D-01 -0.570125D+00 -0.189734D+01 -0.351935D+01
      3  -0.100703D+01  0.317946D+00 -0.427128D+00  0.424891D+00  0.247741D+01
               151           152           153           154           155 
      1   0.293214D+00  0.359507D+01 -0.261461D+01 -0.123230D+01 -0.173998D+01
      2  -0.105424D+01 -0.280830D+01 -0.228474D+02  0.194424D+01  0.850255D+00
      3   0.578244D+00  0.356649D+01  0.251004D+01 -0.451448D+01 -0.572506D+01
               156           157           158           159           160 
      1  -0.432966D+00 -0.170283D+01 -0.481454D+01 -0.193718D+01 -0.200415D+00
      2   0.180217D+01  0.113932D+01  0.239942D+01  0.396745D+01  0.456354D+00
      3   0.362456D+00 -0.351643D+01 -0.180900D+02 -0.279767D+00  0.124525D+00
               161           162           163           164           165 
      1   0.583109D+00 -0.633914D+00  0.251236D+01 -0.173483D+01  0.172225D+01
      2   0.143572D+01 -0.513108D+00  0.756829D+01 -0.378653D+01  0.578094D+01
      3  -0.172963D+01 -0.140600D+01  0.376752D+01 -0.733846D+01  0.984688D+00
               166           167           168           169           170 
      1  -0.201369D+01  0.174906D+01 -0.267683D+01  0.981106D+00 -0.420932D+00
      2  -0.400702D+01  0.395385D+01 -0.513664D+01  0.377392D+01 -0.313766D+01
      3  -0.472936D+01  0.635559D+01 -0.155855D+01  0.103393D+01 -0.327363D+01
               171 
      1   0.134785D+01
      2   0.291268D+01
      3   0.202966D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.389520D-01  0.116344D+02 -0.183328D+02  0.142302D+02 -0.232150D+02
      2  -0.677780D+01 -0.272031D+01  0.886005D+01 -0.526796D+01  0.859420D+01
      3   0.681675D+01 -0.891412D+01  0.947274D+01 -0.896223D+01  0.146208D+02
      4   0.156226D+02 -0.191759D+02  0.581190D+01 -0.265675D+02 -0.140671D+02
      5  -0.205167D+02  0.264978D+01  0.770885D+01  0.198477D+01 -0.357465D+01
      6   0.142946D+01  0.195780D+01 -0.896461D+00  0.267408D+01  0.555482D+01
                 6             7             8             9            10 
      1   0.468532D+01 -0.226658D+02  0.724993D+01  0.141204D+02 -0.891419D+01
      2   0.137543D+01  0.815340D+01  0.335684D+00  0.621116D+01  0.112305D+00
      3  -0.606075D+01  0.145124D+02 -0.758562D+01 -0.203316D+02  0.880189D+01
      4  -0.562650D+01  0.855172D+01 -0.823569D+01  0.796055D+01 -0.333704D+01
      5   0.714089D+01  0.373797D+01  0.691070D+01  0.271519D+02  0.148283D+02
      6  -0.517137D+00  0.434137D+00 -0.572573D+00 -0.101689D+02 -0.411913D+01
                11            12            13            14            15 
      1  -0.445046D+00  0.121879D+02 -0.981934D+00  0.163065D+02  0.266352D+01
      2  -0.221740D+01 -0.780486D+01 -0.102248D+01 -0.212773D+02 -0.362153D+01
      3   0.266245D+01 -0.438308D+01  0.200441D+01  0.497086D+01  0.958012D+00
      4   0.711774D+01 -0.322287D+01  0.144314D+02  0.431682D+01  0.306507D+01
      5  -0.663919D+00 -0.301242D+01 -0.459336D+00  0.339688D+01 -0.149052D+01
      6   0.152449D+00  0.112061D+01  0.232927D+00 -0.559576D+01  0.366329D+01
                16            17            18            19            20 
      1   0.155661D+02  0.354065D+00  0.588283D+00 -0.790213D+01 -0.450633D+01
      2  -0.732793D+01 -0.160950D+01  0.158720D+01  0.110797D+02  0.166293D+00
      3  -0.823821D+01  0.125544D+01 -0.217549D+01 -0.317756D+01  0.434004D+01
      4  -0.516882D+01  0.337788D+01 -0.646256D+00 -0.326294D+01 -0.258302D+01
      5  -0.250660D+01 -0.299075D+00 -0.127080D+02 -0.395598D+01 -0.128861D+01
      6  -0.255581D+00 -0.714234D+00  0.216739D+01  0.318129D+00 -0.632525D+00
                21            22            23            24            25 
      1  -0.959513D+00 -0.382356D+00 -0.406854D+00  0.131167D+01 -0.557441D+01
      2   0.171889D+01 -0.143144D+01 -0.379056D+01  0.562057D+00  0.243470D+01
      3  -0.759379D+00  0.181380D+01  0.419742D+01 -0.187372D+01  0.313971D+01
      4   0.808734D+00 -0.114828D+02 -0.455349D+00 -0.357647D+00  0.379164D+01
      5   0.164830D+01  0.162779D+01  0.476427D+00  0.199527D+01  0.175281D+01
      6  -0.224814D+00 -0.774510D-01  0.301977D+01 -0.299844D+01 -0.546727D+00
                26            27            28            29            30 
      1   0.380015D+01  0.102930D+02 -0.623937D+01  0.103273D+02  0.734888D+00
      2  -0.173798D+01  0.117934D+02  0.124914D+01 -0.570012D+01 -0.476513D+01
      3  -0.206217D+01 -0.220864D+02  0.499024D+01 -0.462715D+01  0.403024D+01
      4   0.267843D+00 -0.116575D+01  0.117277D+02 -0.815821D+01 -0.735980D+01
      5  -0.412499D+00 -0.508400D+00  0.758857D+01 -0.688568D+01 -0.109928D+02
      6   0.262106D+01  0.140319D+01 -0.380740D+01  0.807922D+00 -0.134992D+01
                31            32            33            34            35 
      1   0.172079D+02  0.514263D+01 -0.400954D+01  0.142222D+02 -0.356273D+01
      2  -0.103746D+02 -0.896738D+01  0.898652D+01 -0.837599D+01 -0.266469D+01
      3  -0.683327D+01  0.382475D+01 -0.497698D+01 -0.584617D+01  0.622743D+01
      4  -0.576999D+01 -0.179489D+01 -0.124995D+01 -0.106571D+02  0.690829D+01
      5  -0.155845D+02 -0.787074D+00 -0.176526D+01 -0.901089D+01  0.850706D+00
      6  -0.374421D+01 -0.666073D+01 -0.303855D+01 -0.168994D+01 -0.103473D+01
                36            37            38            39            40 
      1  -0.716536D+01 -0.185206D+02 -0.786928D+01  0.670107D+01 -0.771770D+01
      2   0.457218D+01  0.462781D+01  0.214247D+01 -0.370613D+01  0.383442D+01
      3   0.259318D+01  0.138928D+02  0.572681D+01 -0.299494D+01  0.388328D+01
      4   0.285716D+01 -0.157426D+02 -0.510435D+01  0.633362D+01  0.495614D+01
      5   0.146906D+02  0.672178D+01  0.374402D+01  0.642421D+01  0.768550D+01
      6  -0.562359D+01  0.519597D+01  0.251805D+01  0.114690D+01  0.521914D+01
                41            42            43            44            45 
      1  -0.173293D+02 -0.886545D+00  0.109462D+02  0.167385D+01 -0.450835D+01
      2   0.230132D+02 -0.767695D-01 -0.390172D+01  0.199363D+01 -0.293116D+01
      3  -0.568387D+01  0.963315D+00 -0.704444D+01 -0.366748D+01  0.743951D+01
      4   0.151307D+02  0.707197D+01  0.132301D+02  0.103868D+02  0.521629D+01
      5   0.740966D+01  0.752602D+01  0.998027D+01  0.809115D+01  0.125839D+02
      6   0.884545D+01  0.100362D+02  0.250577D+01  0.100528D+02  0.858515D+01
                46            47            48            49            50 
      1   0.114272D+02  0.475442D+01 -0.119706D+02  0.397242D+01 -0.580996D+01
      2   0.178703D+01 -0.720064D+00  0.237976D+01 -0.112369D+01  0.912971D+01
      3  -0.132142D+02 -0.403435D+01  0.959081D+01 -0.284873D+01 -0.331975D+01
      4   0.489939D+01 -0.131502D+02  0.785454D+01 -0.148111D+02 -0.362927D+01
      5  -0.574471D+01  0.865410D+01 -0.121187D+02  0.756146D+01 -0.188652D+02
      6   0.126724D+02 -0.123354D+02  0.164357D+00 -0.136659D+02 -0.578730D+01
                51            52            53            54            55 
      1   0.444823D+00 -0.108862D+02 -0.889667D+00 -0.636157D+01  0.104845D+02
      2  -0.595989D+00  0.173311D+01 -0.127351D+00 -0.669779D+01 -0.709047D+01
      3   0.151166D+00  0.915308D+01  0.101702D+01  0.130594D+02 -0.339403D+01
      4  -0.112408D+02  0.659349D+01 -0.793619D+01  0.196375D+01  0.570047D+01
      5   0.398793D+01 -0.114523D+02  0.218481D+01  0.115978D+02 -0.147411D+01
      6  -0.121498D+02  0.111079D+01 -0.862748D+01  0.252714D+01  0.335081D+01
                56            57            58            59            60 
      1  -0.114798D+02  0.220347D+01 -0.748050D+01 -0.582559D+01 -0.199200D+01
      2   0.182645D+02 -0.263058D+01  0.133360D+02  0.152872D+02  0.389034D+01
      3  -0.678462D+01  0.427103D+00 -0.585552D+01 -0.946157D+01 -0.189833D+01
      4   0.734138D-01  0.217645D+01  0.656890D+01  0.147421D+02 -0.258139D+01
      5   0.176032D+01  0.230521D+01  0.708186D+00 -0.283381D+01  0.115640D+01
      6  -0.681281D+01  0.117843D+02 -0.545586D+01  0.436582D+01 -0.295264D+01
                61            62            63            64            65 
      1   0.369327D+01 -0.610618D+00  0.479216D+01  0.385807D+02 -0.920229D+01
      2  -0.355590D+01  0.327104D+01 -0.103937D+02 -0.206517D+02  0.268654D+01
      3  -0.137363D+00 -0.266042D+01  0.560151D+01 -0.179290D+02  0.651574D+01
      4   0.262125D+01 -0.233045D+01  0.936187D+01 -0.165807D+02  0.194692D+02
      5   0.391750D+01  0.307635D+01 -0.221234D+01 -0.167549D+02  0.710853D+01
      6   0.108822D+02 -0.718277D+01 -0.705901D+01  0.248004D+01 -0.224618D+01
                66            67            68            69            70 
      1  -0.895563D+01 -0.145165D+02  0.221279D+01  0.128306D+01 -0.146676D+02
      2   0.983493D+01  0.593327D+01  0.510760D+01 -0.287352D+01  0.995639D+01
      3  -0.879299D+00  0.858324D+01 -0.732039D+01  0.159045D+01  0.471121D+01
      4   0.717703D+01  0.175117D+02 -0.178687D+02 -0.846577D+01  0.614393D+01
      5   0.190200D+02  0.768474D+01 -0.850826D+01 -0.736975D+01  0.208795D+02
      6  -0.259122D+01 -0.353312D+01  0.340005D+01  0.760149D+01 -0.244345D+01
                71            72            73            74            75 
      1   0.115368D+00  0.333748D+01  0.542290D+00  0.255871D+00  0.180105D+00
      2  -0.786642D-01 -0.144364D+02 -0.419146D+01  0.269302D+00 -0.193303D+00
      3  -0.367036D-01  0.110989D+02  0.364917D+01 -0.525173D+00  0.131983D-01
      4  -0.123652D+02 -0.101610D+02 -0.202660D-01  0.131776D+01 -0.590933D+00
      5  -0.852185D+01 -0.272933D+02  0.235388D-01  0.981092D-01  0.563993D+01
      6   0.721175D+01  0.475003D+01 -0.377439D+00 -0.994453D-02  0.491201D-01
                76            77            78            79            80 
      1   0.976134D+00 -0.363196D+01 -0.129125D+01  0.994487D+00  0.570521D+00
      2   0.196293D+00  0.759257D-01 -0.183765D+01  0.440532D-01 -0.228888D+01
      3  -0.117243D+01  0.355603D+01  0.312890D+01 -0.103854D+01  0.171836D+01
      4   0.211805D+01 -0.215979D+00  0.816706D-01 -0.423906D+00  0.276938D+00
      5   0.883574D-01 -0.246222D+00 -0.379471D-01  0.513672D+01  0.245948D+00
      6   0.214395D+00  0.511946D+00  0.610743D+01  0.211448D+00  0.475868D+01
                81            82            83            84            85 
      1  -0.194859D+02 -0.809104D+00 -0.372119D+01 -0.205876D+01 -0.540803D+01
      2  -0.161244D+02  0.429775D+01  0.506427D+01  0.179482D+01  0.605393D+01
      3   0.356103D+02 -0.348864D+01 -0.134308D+01  0.263943D+00 -0.645901D+00
      4   0.696027D+00  0.833685D+00  0.357349D+01  0.788438D+00  0.294746D+01
      5   0.107571D+01 -0.146302D+01  0.578335D+00  0.987514D+00  0.120171D+01
      6  -0.315223D+01  0.126802D+01  0.991944D+00  0.732974D+00  0.746046D+00
                86            87            88            89            90 
      1  -0.190878D+02 -0.145082D+01 -0.299138D+01 -0.227802D+01 -0.413710D+01
      2   0.316138D+02  0.390463D+01  0.186723D+01  0.303866D+01  0.297236D+01
      3  -0.125260D+02 -0.245380D+01  0.112415D+01 -0.760639D+00  0.116475D+01
      4  -0.897304D+01 -0.159983D+01  0.518501D+00 -0.154156D+01 -0.106310D+01
      5  -0.161540D+01 -0.297523D+01  0.209157D+01 -0.162891D+01  0.560681D+00
      6   0.542759D+01  0.556315D+01  0.136701D+01  0.705426D+01  0.267497D+01
                91            92            93            94            95 
      1   0.370197D+02  0.157099D+02 -0.267973D+01  0.604748D+01  0.485953D+01
      2  -0.131932D+02 -0.312820D+01  0.272462D+00  0.886477D+00  0.252822D+01
      3  -0.238265D+02 -0.125817D+02  0.240727D+01 -0.693395D+01 -0.738776D+01
      4   0.292283D+02  0.202240D+02 -0.128472D+01  0.129339D+02  0.129242D+02
      5   0.179268D+01  0.133556D+01  0.503408D+01  0.363536D+00  0.775719D+00
      6  -0.125479D+01  0.143514D+00  0.255633D+01  0.265927D+00  0.340688D+00
                96            97            98            99           100 
      1  -0.641223D+00 -0.102189D+02 -0.493606D+01  0.327066D+01 -0.217119D+01
      2  -0.274511D+00  0.312186D+01  0.304368D+00 -0.137144D+01  0.521576D+01
      3   0.915734D+00  0.709701D+01  0.463169D+01 -0.189922D+01 -0.304457D+01
      4  -0.592758D+00 -0.985952D+01 -0.720915D+01  0.451258D+01 -0.575905D+01
      5   0.198878D+01  0.557022D+01  0.310046D+01 -0.200326D+01  0.288581D+01
      6   0.187644D+01  0.349879D+01  0.276132D+01 -0.158189D+01 -0.604665D+01
               101           102           103           104           105 
      1   0.781142D+01 -0.362619D+01  0.565879D+01 -0.148958D+02  0.642353D+01
      2  -0.125499D+02  0.435077D+01 -0.926543D+01  0.233250D+02 -0.878263D+01
      3   0.473850D+01 -0.724574D+00  0.360664D+01 -0.842923D+01  0.235910D+01
      4   0.100894D+02 -0.505478D+01  0.830109D+01 -0.964150D+01  0.443444D+01
      5  -0.333439D+01  0.379413D+01 -0.191575D+01  0.308634D+01 -0.176262D+01
      6   0.879377D+01 -0.725042D+01  0.661525D+01 -0.141983D+02  0.103946D+02
               106           107           108           109           110 
      1  -0.440344D+01  0.974276D+01 -0.845760D+01 -0.117756D+01  0.256548D+01
      2   0.475840D+01 -0.110989D+02  0.650470D+01  0.180516D+01 -0.419012D+01
      3  -0.354961D+00  0.135613D+01  0.195290D+01 -0.627601D+00  0.162464D+01
      4  -0.558954D+01  0.587469D+01 -0.548673D+01 -0.305652D+00  0.302489D+01
      5   0.338144D+01 -0.285579D+01  0.307543D+01 -0.113324D+01 -0.533802D-02
      6  -0.742310D+01  0.144746D+02 -0.125992D+02  0.148387D+01 -0.206056D+01
               111           112           113           114           115 
      1   0.122639D+01  0.106995D+01 -0.527054D+01 -0.297775D+01  0.621297D+00
      2  -0.181865D+01 -0.178174D+01  0.780569D+01  0.450239D+01 -0.152949D+01
      3   0.592262D+00  0.711798D+00 -0.253515D+01 -0.152463D+01  0.908192D+00
      4   0.119395D+01  0.308286D+01 -0.218185D+01 -0.146535D+01  0.336175D+01
      5   0.135953D+01  0.479540D-01 -0.363102D+00 -0.320794D+00  0.731127D+00
      6  -0.422387D+01 -0.165990D+01  0.475929D+01  0.721153D+01 -0.357510D+01
               116           117           118           119           120 
      1  -0.728590D+01 -0.705888D+01  0.359830D+01  0.262391D+01  0.164139D+01
      2   0.972941D+01  0.486839D+01 -0.363741D+01 -0.195456D+01 -0.318036D+01
      3  -0.244352D+01  0.219048D+01  0.391125D-01 -0.669343D+00  0.153897D+01
      4  -0.238132D+01 -0.322738D+01  0.467386D+01  0.792037D+01  0.176278D+01
      5  -0.676029D+00 -0.332178D+00  0.669841D+01  0.451928D+01  0.780239D+01
      6   0.840118D+01  0.177200D+02  0.272049D+01  0.648652D+01  0.225938D+01
               121           122           123           124           125 
      1   0.436702D+01 -0.198165D+01 -0.409078D+01  0.651172D+00 -0.247704D+01
      2  -0.366398D+01  0.116348D+01 -0.528425D+01 -0.174949D+01 -0.220795D+01
      3  -0.703043D+00  0.818175D+00  0.937502D+01  0.109832D+01  0.468499D+01
      4   0.786158D+01  0.151778D+02  0.706343D+01  0.874541D+00  0.420945D+01
      5   0.788456D+01  0.111841D+02  0.998257D+01  0.543517D+01  0.480767D+01
      6   0.690962D+01  0.181810D+02  0.102434D+02  0.212210D+01  0.871497D+01
               126           127           128           129           130 
      1  -0.254996D+01 -0.928080D+01 -0.370974D+01  0.135021D+02 -0.262946D+01
      2  -0.242702D+01 -0.996124D+00  0.136616D+01  0.386501D+01  0.139465D+01
      3   0.497698D+01  0.102769D+02  0.234358D+01 -0.173671D+02  0.123481D+01
      4   0.367133D+01  0.434571D+01  0.249503D+01 -0.299805D+01  0.352979D+01
      5   0.463216D+01 -0.124591D+02 -0.269369D+01  0.575403D+01 -0.277883D+01
      6   0.523449D+01 -0.543652D+01 -0.474817D+01  0.558115D+01 -0.255208D+01
               131           132           133           134           135 
      1  -0.312857D+01  0.281489D+01  0.938683D+01  0.259905D+01 -0.125159D+02
      2   0.834577D+00 -0.336673D+00  0.219762D+01 -0.169496D+00 -0.518919D+01
      3   0.229399D+01 -0.247822D+01 -0.115844D+02 -0.242956D+01  0.177051D+02
      4   0.129180D+01  0.719965D+00 -0.222248D+01  0.331675D+00  0.169309D+01
      5   0.448480D+00  0.169281D+00  0.827975D+01  0.720432D+00 -0.480945D+01
      6  -0.243258D+01  0.605958D+01  0.320888D+01  0.548375D+01 -0.501714D+01
               136           137           138           139           140 
      1   0.114710D+02 -0.410824D+01  0.245750D+01 -0.523944D+01 -0.140076D+01
      2  -0.858400D+01  0.136043D+01 -0.662255D+01  0.179086D+01  0.396223D+01
      3  -0.288705D+01  0.274781D+01  0.416505D+01  0.344857D+01 -0.256147D+01
      4  -0.138831D+02  0.129792D+02 -0.786710D+01  0.138996D+02 -0.145827D+02
      5   0.193319D+02 -0.112364D+02  0.168459D+02 -0.129262D+02  0.129178D+02
      6  -0.103802D+02  0.108633D+02 -0.838627D+01  0.106258D+02 -0.144748D+02
               141           142           143           144           145 
      1   0.317764D+01  0.199611D+01  0.209389D+01 -0.208469D+01  0.124631D+00
      2   0.233130D+01 -0.488383D+01  0.186897D+01 -0.550108D+01 -0.204137D+01
      3  -0.550894D+01  0.288772D+01 -0.396286D+01  0.758576D+01  0.191673D+01
      4   0.906098D+01 -0.537410D+01  0.612259D+01 -0.726153D+01 -0.164516D+01
      5  -0.121321D+02  0.128005D+02 -0.832104D+01  0.124277D+02 -0.241874D+01
      6   0.129630D+02 -0.641300D+01  0.963673D+01 -0.974623D+01  0.132889D+01
               146           147           148           149           150 
      1  -0.210173D+01 -0.452767D+01 -0.318147D+01 -0.237951D+00 -0.309231D+01
      2   0.980674D+00  0.206193D+01  0.150947D+01 -0.620905D+00 -0.167061D+00
      3   0.112105D+01  0.246574D+01  0.167200D+01  0.858857D+00  0.325937D+01
      4   0.259846D+01  0.648867D+00  0.521045D+01 -0.167216D+01 -0.498850D+01
      5   0.555087D+00  0.507660D+01  0.194110D+01 -0.463744D+01 -0.604567D+01
      6   0.243054D+00  0.528330D+00 -0.144066D+01  0.330848D+01  0.778752D+01
               151           152           153           154           155 
      1  -0.713747D+01 -0.279279D+01 -0.144831D+02  0.114828D+02  0.802087D+01
      2   0.718536D+01 -0.284416D+00 -0.180587D+02 -0.312056D+01 -0.305736D+01
      3  -0.478907D-01  0.307721D+01  0.325418D+02 -0.836227D+01 -0.496351D+01
      4   0.213991D+01 -0.641602D+01 -0.607725D+01  0.819509D+01  0.136757D+02
      5   0.142166D+02 -0.561508D+01 -0.429127D+02  0.226553D+00 -0.154486D+01
      6  -0.239228D+01  0.803224D+01  0.122418D+02 -0.179098D+01 -0.243325D+01
               156           157           158           159           160 
      1   0.163693D+01  0.177749D+02  0.103524D+02 -0.110290D+01  0.555408D+01
      2  -0.430167D+00 -0.757281D+01  0.185264D+01  0.180945D+01 -0.198503D+01
      3  -0.120676D+01 -0.102021D+02 -0.122050D+02 -0.706550D+00 -0.356906D+01
      4  -0.561717D+00  0.173346D+02  0.308444D+02 -0.358805D-01  0.271401D+00
      5   0.232354D+01 -0.448817D+01 -0.502159D+00  0.773407D+01  0.327547D+01
      6   0.598810D+00 -0.250884D+01 -0.700996D+01  0.238608D+01  0.119781D+01
               161           162           163           164           165 
      1   0.318677D+00 -0.360219D+00  0.448520D+02 -0.165778D+02  0.710707D+01
      2   0.418781D+00 -0.135226D+01 -0.171552D+02  0.394640D+01 -0.222087D+01
      3  -0.737457D+00  0.171248D+01 -0.276968D+02  0.126314D+02 -0.488620D+01
      4   0.279801D+01  0.325191D+01 -0.247037D+02  0.193030D+02 -0.372121D+01
      5   0.372932D+01 -0.192131D+01  0.317385D+01 -0.145511D+01  0.763273D+01
      6   0.259942D+01  0.681282D+00  0.964976D+00 -0.167944D+01 -0.159929D+01
               166           167           168           169           170 
      1  -0.237584D+02  0.128880D+02 -0.253275D+01  0.166795D+02 -0.494886D+01
      2   0.655086D+01  0.128259D+01 -0.984677D+00 -0.637673D+01  0.438565D-01
      3   0.172076D+02 -0.141706D+02  0.351743D+01 -0.103028D+02  0.490501D+01
      4   0.238407D+02 -0.193585D+02  0.405787D+01 -0.880268D+01  0.786145D+01
      5  -0.626831D+00  0.223785D+01 -0.778133D+01  0.768006D+01 -0.540070D+01
      6  -0.151425D+01  0.339550D+00  0.299589D+01 -0.181314D+01  0.201894D+01
               171 
      1   0.394459D+01
      2  -0.284843D+01
      3  -0.109616D+01
      4  -0.609551D+01
      5   0.425601D+01
      6  -0.114202D+01
 Leave Link  716 at Fri Aug 13 11:06:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.858969D+02 -0.134289D-01 -0.264904D+01
      2  -0.134289D-01  0.756899D+02  0.189513D+01
      3  -0.264904D+01  0.189513D+01  0.732331D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.183619D+01  0.528041D+00  0.522197D-01
      2   0.563232D+01 -0.606484D+01  0.324028D+02
      3   0.612963D+01 -0.248435D+02  0.713746D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.676315D+02 -0.240638D+02  0.442855D+01
      2  -0.384562D+02  0.223630D+02 -0.117965D+02
      3  -0.291753D+02  0.170085D+01  0.736798D+01
      4  -0.241568D+02  0.368692D+02 -0.162150D+02
      5   0.116224D+02 -0.186588D+02  0.636400D+02
      6  -0.428266D+01 -0.917147D-02 -0.593059D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.338749D+00  0.208938D+01 -0.363770D+01  0.337679D+01 -0.383124D+01
      2   0.208938D+01 -0.318512D+01  0.666264D+00 -0.383124D+01 -0.318461D+01
      3  -0.363770D+01  0.666264D+00  0.126559D+01  0.495199D+00 -0.115774D+01
                 6             7             8             9            10 
      1   0.495199D+00 -0.479755D+01  0.981917D+00  0.788651D-01  0.193926D+01
      2  -0.115774D+01  0.981917D+00 -0.135822D+01  0.151051D+01 -0.196752D+01
      3   0.177133D+01  0.788651D-01  0.151051D+01  0.672251D+01  0.378834D+01
                11            12            13            14            15 
      1  -0.196752D+01  0.378834D+01 -0.520507D+01  0.390962D+01 -0.130492D-01
      2   0.384556D+01 -0.139110D+00  0.390962D+01  0.452915D+01  0.201157D+01
      3  -0.139110D+00 -0.886048D+00 -0.130492D-01  0.201157D+01 -0.639541D+00
                16            17            18            19            20 
      1   0.601456D+01 -0.511854D+00 -0.376109D+00 -0.302714D+01  0.510717D+01
      2  -0.511854D+00  0.231422D+01 -0.204395D+00  0.510717D+01 -0.896064D+00
      3  -0.376109D+00 -0.204395D+00 -0.522266D+01 -0.128262D+01  0.148282D+00
                21            22            23            24            25 
      1  -0.128262D+01  0.561714D+01 -0.935687D+00  0.308760D+00 -0.346306D+01
      2   0.148282D+00 -0.935687D+00 -0.701832D+00 -0.799547D+00 -0.542569D-01
      3  -0.294506D+00  0.308760D+00 -0.799547D+00  0.161099D+01 -0.592918D+00
                26            27            28            29            30 
      1  -0.542569D-01 -0.592918D+00  0.832825D+00 -0.352677D+01 -0.803762D+00
      2  -0.159134D+01  0.113891D+01 -0.352677D+01  0.106997D+01  0.150736D+01
      3   0.113891D+01  0.602899D+01 -0.803762D+00  0.150736D+01  0.914394D+00
                31            32            33            34            35 
      1  -0.351132D+01 -0.189132D+00  0.181235D+01 -0.408557D+01  0.174928D+01
      2  -0.189132D+00 -0.584135D+00  0.594478D+00  0.174928D+01  0.101691D-01
      3   0.181235D+01  0.594478D+00 -0.126325D+01  0.142958D+01 -0.111443D+01
                36            37            38            39            40 
      1   0.142958D+01  0.545019D+01  0.187592D+01 -0.166524D+01  0.545689D+00
      2  -0.111443D+01  0.187592D+01  0.168240D+01 -0.707183D+00  0.397204D+00
      3  -0.264699D+01 -0.166524D+01 -0.707183D+00  0.317723D+00 -0.112326D+01
                41            42            43            44            45 
      1   0.397204D+00 -0.112326D+01 -0.297900D+01 -0.174723D+01 -0.794603D+00
      2  -0.392725D+01 -0.160624D+01 -0.174723D+01 -0.237589D+01 -0.152895D+01
      3  -0.160624D+01 -0.881440D+00 -0.794603D+00 -0.152895D+01 -0.246730D+01
                46            47            48            49            50 
      1   0.111657D+01  0.239851D+01 -0.445973D+01  0.265620D+01 -0.365841D+01
      2   0.239851D+01 -0.339021D+01  0.494142D+00 -0.365841D+01 -0.251072D+01
      3  -0.445973D+01  0.494142D+00  0.796473D+00  0.549199D+00 -0.298180D+01
                51            52            53            54            55 
      1   0.549199D+00 -0.381688D+01  0.297081D+00  0.723850D+00  0.213321D+01
      2  -0.298180D+01  0.297081D+00 -0.234419D+01  0.576640D+00 -0.107505D+01
      3   0.132409D+01  0.723850D+00  0.576640D+00  0.336904D+01  0.804194D+00
                56            57            58            59            60 
      1  -0.107505D+01  0.804194D+00 -0.948541D+00  0.244248D+01 -0.831535D+00
      2   0.405280D+01 -0.800479D+00  0.244248D+01  0.119424D+01  0.837884D+00
      3  -0.800479D+00  0.247234D+01 -0.831535D+00  0.837884D+00 -0.173405D+01
                61            62            63            64            65 
      1   0.116850D+01 -0.128581D+01  0.241155D+01 -0.710213D+01  0.250502D+01
      2  -0.128581D+01  0.917648D+00 -0.176141D+01  0.250502D+01 -0.261598D+01
      3   0.241155D+01 -0.176141D+01 -0.226621D+01  0.276157D+01 -0.119775D+01
                66            67            68            69            70 
      1   0.276157D+01  0.392286D+01 -0.225083D+01 -0.106472D+01  0.566804D+01
      2  -0.119775D+01 -0.225083D+01  0.423408D+01  0.170875D+01 -0.929837D+00
      3  -0.206461D+01 -0.106472D+01  0.170875D+01  0.184379D+01 -0.288849D+01
                71            72            73            74            75 
      1  -0.929837D+00 -0.288849D+01  0.541538D+00 -0.682425D+00 -0.101216D+01
      2   0.239459D+01  0.208276D+01 -0.682425D+00  0.236600D+00 -0.628132D-01
      3   0.208276D+01  0.564947D+01 -0.101216D+01 -0.628132D-01  0.125974D+00
                76            77            78            79            80 
      1  -0.133949D+01  0.261086D+00  0.217115D-01 -0.140522D+01  0.152192D-01
      2   0.261086D+00  0.553923D-01 -0.108461D+01  0.152192D-01 -0.123400D+01
      3   0.217115D-01 -0.108461D+01 -0.696828D+00  0.800898D-01 -0.248275D+00
                81            82            83            84            85 
      1   0.800898D-01 -0.141799D+01 -0.105841D+01 -0.838077D+00 -0.128490D+01
      2  -0.248275D+00 -0.105841D+01 -0.146347D+01  0.119716D-02 -0.129210D+01
      3  -0.834680D+01 -0.838077D+00  0.119716D-02 -0.272780D+00 -0.312142D-01
                86            87            88            89            90 
      1  -0.129210D+01 -0.312142D-01 -0.115375D+01 -0.427692D-01 -0.134045D+00
      2  -0.735763D+01 -0.112817D+01 -0.427692D-01 -0.110491D+01 -0.125413D+01
      3  -0.112817D+01 -0.147718D+01 -0.134045D+00 -0.125413D+01 -0.122588D+00
                91            92            93            94            95 
      1  -0.774987D+01 -0.408847D+01  0.383382D+00 -0.218059D+01 -0.195420D+01
      2  -0.408847D+01 -0.344455D+01  0.648195D-01 -0.195420D+01 -0.251417D+01
      3   0.383382D+00  0.648195D-01 -0.107822D+01  0.188426D+00 -0.452484D-02
                96            97            98            99           100 
      1   0.188426D+00  0.245216D+01  0.142490D+01 -0.102161D+01 -0.103999D+01
      2  -0.452484D-02  0.142490D+01  0.114781D+01 -0.636396D+00  0.178731D+01
      3  -0.578104D+00 -0.102161D+01 -0.636396D+00  0.333596D+00 -0.105197D+01
               101           102           103           104           105 
      1   0.178731D+01 -0.105197D+01  0.162364D+01 -0.209886D+01  0.100690D+01
      2  -0.262112D+01  0.128746D+01 -0.209886D+01  0.490355D+01 -0.198329D+01
      3   0.128746D+01 -0.116881D+01  0.100690D+01 -0.198329D+01  0.168028D+01
               106           107           108           109           110 
      1  -0.170468D+01  0.149019D+01 -0.137387D+01 -0.202602D+00  0.586670D+00
      2   0.149019D+01 -0.323272D+01  0.227305D+01  0.586670D+00 -0.738105D+00
      3  -0.137387D+01  0.227305D+01 -0.236023D+01  0.339703D+00 -0.447557D+00
               111           112           113           114           115 
      1   0.339703D+00  0.613748D+00 -0.336886D+00 -0.397183D+00  0.122494D+01
      2  -0.447557D+00 -0.336886D+00  0.170724D+01  0.101389D+01 -0.357103D+00
      3  -0.933791D+00 -0.397183D+00  0.101389D+01  0.115620D+01 -0.733921D+00
               116           117           118           119           120 
      1  -0.357103D+00 -0.733921D+00  0.124132D+01  0.880224D+00  0.111843D+01
      2   0.243344D+01  0.162967D+01  0.880224D+00  0.169261D+01  0.495871D+00
      3   0.162967D+01  0.434207D+01  0.111843D+01  0.495871D+00  0.963521D+00
               121           122           123           124           125 
      1   0.156544D+01  0.157929D+01  0.845671D+00  0.811546D+00  0.339973D+00
      2   0.157929D+01  0.500190D+01  0.189181D+01  0.339973D+00  0.135224D+01
      3   0.845671D+00  0.189181D+01  0.268621D+01  0.450388D+00  0.116591D+01
               126           127           128           129           130 
      1   0.450388D+00 -0.474959D+01 -0.826676D+00  0.241821D+01 -0.881009D+00
      2   0.116591D+01 -0.826676D+00 -0.836971D+00  0.604140D+00 -0.398037D+00
      3   0.108226D+01  0.241821D+01  0.604140D+00 -0.350723D+01  0.324943D+00
               131           132           133           134           135 
      1  -0.398037D+00  0.324943D+00  0.219796D+01  0.297131D+00 -0.199817D+01
      2  -0.391145D+00  0.103955D+01  0.297131D+00  0.853489D+00 -0.577231D+00
      3   0.103955D+01 -0.837131D+00 -0.199817D+01 -0.577231D+00  0.298452D+01
               136           137           138           139           140 
      1   0.371537D+01 -0.227264D+01  0.248245D+01 -0.268270D+01  0.241633D+01
      2  -0.227264D+01  0.234922D+01 -0.132849D+01  0.241633D+01 -0.305077D+01
      3   0.248245D+01 -0.132849D+01  0.235423D+01 -0.146022D+01  0.217066D+01
               141           142           143           144           145 
      1  -0.146022D+01  0.158964D+01 -0.944540D+00  0.158867D+01 -0.400546D-01
      2   0.217066D+01 -0.944540D+00  0.150046D+01 -0.156953D+01 -0.293067D+00
      3  -0.252794D+01  0.158867D+01 -0.156953D+01  0.217451D+01 -0.638483D+00
               146           147           148           149           150 
      1  -0.293067D+00 -0.638483D+00 -0.723399D+00  0.672237D+00  0.185100D+00
      2   0.184252D+00 -0.166205D-01  0.672237D+00 -0.363561D+00 -0.110068D+01
      3  -0.166205D-01 -0.287000D+00  0.185100D+00 -0.110068D+01 -0.138327D+01
               151           152           153           154           155 
      1  -0.173568D+01  0.214980D+00  0.164951D+01  0.162413D+01  0.139736D+01
      2   0.214980D+00 -0.129202D+01 -0.115194D+01  0.139736D+01  0.177513D+01
      3   0.164951D+01 -0.115194D+01 -0.928473D+01  0.272017D+00 -0.133423D+00
               156           157           158           159           160 
      1   0.272017D+00  0.318943D+01  0.228408D+01 -0.471586D+00  0.934113D+00
      2  -0.133423D+00  0.228408D+01  0.549626D+01  0.534188D-03  0.565330D-01
      3   0.283868D+00 -0.471586D+00  0.534188D-03  0.123818D+01  0.446301D+00
               161           162           163           164           165 
      1   0.565330D-01  0.446301D+00  0.639618D+01 -0.283652D+01  0.102145D+01
      2   0.530138D+00  0.574315D+00 -0.283652D+01  0.230304D+01 -0.436105D+00
      3   0.574315D+00 -0.443833D+00  0.102145D+01 -0.436105D+00  0.998890D+00
               166           167           168           169           170 
      1  -0.435390D+01  0.298306D+01 -0.345497D+00  0.307992D+01 -0.993814D+00
      2   0.298306D+01 -0.253598D+01  0.577469D+00 -0.993814D+00  0.107909D+01
      3  -0.345497D+00  0.577469D+00 -0.129233D+01  0.105491D+01 -0.905077D+00
               171 
      1   0.105491D+01
      2  -0.905077D+00
      3   0.474380D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.333748D+01  0.286892D+01 -0.581070D-01  0.391742D+01  0.228034D+01
      2  -0.928238D+01  0.366863D+01  0.141166D+01  0.440113D+01 -0.635746D+01
      3  -0.564699D+01  0.593958D+01 -0.227753D+00  0.132171D+02  0.112223D+02
                 6             7             8             9            10 
      1  -0.781306D+00  0.419000D+00  0.293015D+01  0.668419D-01  0.386847D+01
      2   0.513002D+01 -0.795311D+01  0.518935D+01  0.195268D+02  0.742570D+01
      3   0.165217D+01 -0.175459D+01  0.331882D+01 -0.462926D+01  0.157536D+01
                11            12            13            14            15 
      1  -0.744473D+00 -0.273837D+00 -0.671510D+00  0.271108D+01 -0.482895D+01
      2  -0.144622D+01  0.351062D+01 -0.444296D+01  0.275772D+01 -0.980703D+00
      3  -0.504597D+01 -0.135847D+01  0.982652D+00 -0.103058D+02 -0.243671D+01
                16            17            18            19            20 
      1  -0.133308D+01  0.183560D+01 -0.264318D+01 -0.475190D+01 -0.277765D-01
      2  -0.288121D+01  0.228450D-01 -0.505880D+01 -0.178765D+01  0.181352D+01
      3   0.149551D-01 -0.184845D+01  0.985292D+00  0.380656D+01 -0.411095D+01
                21            22            23            24            25 
      1  -0.123410D+01  0.630441D+00  0.209151D+01  0.413265D+00 -0.103250D+01
      2   0.191895D+01  0.471837D+01 -0.162876D+01  0.147963D+01 -0.805195D+01
      3   0.139018D+01  0.232795D+01  0.119075D+01  0.728729D+00 -0.131487D+01
                26            27            28            29            30 
      1   0.473710D+01 -0.271986D+01  0.280561D+01  0.344094D+01  0.113128D+01
      2  -0.404062D+00 -0.181797D+01 -0.671602D+01 -0.226731D+01 -0.539306D+01
      3   0.738817D+00 -0.506183D-01 -0.705453D+01  0.295931D+01 -0.155715D+01
                31            32            33            34            35 
      1   0.943312D+00 -0.760646D+01  0.454572D+00  0.119336D+01  0.352899D+01
      2   0.290223D+01  0.247775D+01  0.264279D+00 -0.120086D+02 -0.443819D+00
      3   0.397177D+01  0.261174D+01 -0.281760D+01 -0.702518D+01 -0.835447D+01
                36            37            38            39            40 
      1   0.678520D+01 -0.307410D+01 -0.846823D+00 -0.470329D+00 -0.328440D+00
      2   0.867997D+01  0.599616D+01  0.300913D+01  0.831874D+00 -0.215773D+01
      3  -0.195440D+01 -0.164620D+01 -0.795127D+00  0.728886D+00  0.566778D+01
                41            42            43            44            45 
      1   0.218845D+01 -0.494339D+01  0.211522D+01  0.315219D+01 -0.311018D+01
      2   0.246978D+01  0.203505D+01 -0.391645D+01  0.203182D+01  0.502826D+01
      3  -0.815336D+01 -0.185378D+01  0.256901D+01 -0.129861D+01 -0.285098D+01
                46            47            48            49            50 
      1   0.211927D+01 -0.630590D+01  0.157663D+01 -0.669224D+01 -0.627696D+01
      2  -0.100408D+02 -0.390206D+01  0.133957D+02 -0.262712D+01  0.244248D+01
      3  -0.399744D+01  0.170782D+01  0.881124D+00  0.578085D+01  0.532805D+01
                51            52            53            54            55 
      1  -0.884149D+01  0.107675D+01 -0.254942D+01  0.428086D+01 -0.638707D+00
      2   0.393442D+00  0.666757D+01  0.304290D+00  0.220548D+01  0.161111D+01
      3   0.382121D+01  0.107424D+01  0.287438D+01 -0.102567D+01  0.555673D+01
                56            57            58            59            60 
      1   0.105040D+01 -0.670987D+01  0.671736D+00 -0.447436D+01 -0.747349D+00
      2   0.491603D-02  0.473438D+01 -0.562298D+00  0.149830D+01 -0.632110D+00
      3  -0.872773D+01  0.157939D+01  0.269447D+01  0.605269D+01 -0.214480D+01
                61            62            63            64            65 
      1  -0.514159D+01  0.875329D+01  0.557589D+01 -0.953527D+00 -0.307716D+01
      2   0.161043D+00 -0.374709D+00  0.740845D-01 -0.923599D+00  0.239010D+01
      3   0.122460D+01 -0.297998D+01  0.695294D+01  0.178364D+01 -0.968173D+01
                66            67            68            69            70 
      1   0.175953D+01  0.447239D+00  0.239749D+01 -0.348937D+01 -0.355156D+00
      2   0.990272D+01  0.864010D+00 -0.495730D+01 -0.371685D+01  0.237125D+01
      3  -0.746575D+00  0.325680D+00  0.731389D+01  0.384582D+01  0.459982D+01
                71            72            73            74            75 
      1   0.423080D+01 -0.256211D+01  0.862166D+00 -0.247113D+00  0.253525D+00
      2  -0.346029D+01 -0.128302D+02  0.807965D+00 -0.397153D+00 -0.778234D-01
      3   0.781792D+01  0.364352D+01  0.221309D+00 -0.600339D+00 -0.551641D+00
                76            77            78            79            80 
      1  -0.287990D+00  0.139130D+00  0.298970D+00  0.839611D-03  0.366375D+01
      2  -0.131399D+01  0.257991D+00 -0.489214D-01 -0.362802D+01  0.145862D+00
      3   0.129249D+01 -0.569284D-01 -0.319000D+00  0.283136D+00 -0.141078D+00
                81            82            83            84            85 
      1   0.219727D+01 -0.123120D+01  0.981794D-01 -0.603872D+00 -0.130694D+00
      2   0.711501D+00 -0.126075D+01 -0.152316D+00  0.237173D+00 -0.268724D+00
      3  -0.109659D+00  0.375411D+01  0.174699D+01  0.881595D+00  0.601862D+01
                86            87            88            89            90 
      1  -0.228538D+00 -0.363977D+01 -0.141720D+00  0.169772D+00 -0.144810D+00
      2  -0.968050D+00 -0.111788D+01 -0.168250D+01 -0.128641D+01 -0.286200D-01
      3   0.861895D+01  0.141839D+01  0.147956D+01  0.130073D+01  0.153906D+01
                91            92            93            94            95 
      1   0.349973D+01  0.217485D+01 -0.193650D+01  0.185351D+01  0.177274D+01
      2  -0.514137D+01 -0.297551D+01  0.365625D+01 -0.222396D+01 -0.171001D+01
      3   0.256798D+01 -0.331658D+01 -0.607975D+00  0.371895D+00 -0.196931D+01
                96            97            98            99           100 
      1  -0.952751D+00 -0.175350D+01 -0.734597D+00  0.116752D+01  0.121917D+01
      2   0.147245D+01  0.276855D+01  0.178978D+01 -0.217818D+01 -0.149536D+01
      3  -0.644050D-02 -0.147701D+00  0.148403D+01 -0.272394D+00 -0.355619D+01
               101           102           103           104           105 
      1  -0.156761D+01  0.318587D+01 -0.163917D+01  0.195720D+01 -0.384248D+01
      2   0.891761D+00  0.130736D-01  0.126425D+01 -0.128104D+01  0.316667D+00
      3   0.330909D+01 -0.252361D+01  0.597905D+01 -0.504293D+01  0.301358D+01
               106           107           108           109           110 
      1   0.242634D+01 -0.233162D+01  0.404058D+01 -0.100052D+01  0.845517D+00
      2  -0.212729D+01  0.105425D+01 -0.722098D+00  0.849420D+00  0.873549D-01
      3  -0.465474D+01  0.389480D+01 -0.376587D+01 -0.100900D+01  0.216503D+00
               111           112           113           114           115 
      1   0.276689D+01  0.106754D+01 -0.259461D+01 -0.337614D+01  0.209778D+01
      2  -0.375278D+00  0.581471D-01  0.153142D+00  0.252673D+00 -0.241509D+01
      3   0.115849D+01  0.168282D+01 -0.105958D+01 -0.115297D+01  0.377312D+01
               116           117           118           119           120 
      1  -0.292594D+01 -0.118016D+02  0.198438D+01  0.364322D+01  0.665642D+00
      2   0.439607D+00  0.854631D+00 -0.288972D+00 -0.820639D+00  0.659387D+00
      3  -0.134396D+01 -0.266735D+01 -0.721876D+00 -0.342344D+01 -0.878188D+00
               121           122           123           124           125 
      1   0.287145D+01  0.122796D+02  0.180877D+01  0.107878D+01  0.400710D+01
      2  -0.270582D+01 -0.217318D+00  0.298228D+01 -0.183862D+01  0.819636D+00
      3  -0.346992D+00 -0.822508D+01 -0.230056D+01 -0.318133D+00 -0.175808D+01
               126           127           128           129           130 
      1   0.240477D+01  0.107661D+00 -0.242147D+01 -0.117557D+01 -0.778047D+00
      2   0.491404D+00  0.153358D+02  0.210411D+01 -0.643942D+01  0.192876D+01
      3  -0.175702D+01  0.376340D+01 -0.351853D+00 -0.143885D+01  0.189226D+01
               131           132           133           134           135 
      1   0.885076D-01  0.495475D+00 -0.554577D+00  0.256870D+01  0.510428D+00
      2   0.182556D+01 -0.130696D+01 -0.881203D+01 -0.126589D+01  0.623308D+01
      3   0.299514D+00 -0.125416D+01 -0.136236D+01 -0.225781D+00  0.155947D+01
               136           137           138           139           140 
      1  -0.267653D+01  0.458927D+01 -0.904413D-01  0.353378D+01 -0.471587D+01
      2  -0.365704D+01  0.217181D+01  0.113733D+01  0.360352D+01 -0.121873D+01
      3   0.339784D+00 -0.360036D+01  0.657949D+00 -0.232950D+00  0.348016D+01
               141           142           143           144           145 
      1   0.468011D+00 -0.117827D+01  0.305222D+01 -0.119942D+01 -0.825567D-01
      2  -0.183454D+01 -0.278203D+01 -0.475032D-01  0.603033D+00 -0.227029D+01
      3  -0.215752D+01 -0.177569D+00 -0.204233D+01  0.126922D+01  0.101873D+01
               146           147           148           149           150 
      1   0.184326D-02 -0.760201D-01 -0.366355D+00  0.110189D+00 -0.501368D+00
      2  -0.297815D+00 -0.873019D-01 -0.570125D+00 -0.189734D+01 -0.351935D+01
      3  -0.100703D+01  0.317946D+00 -0.427128D+00  0.424891D+00  0.247741D+01
               151           152           153           154           155 
      1   0.293214D+00  0.359507D+01 -0.261461D+01 -0.123230D+01 -0.173998D+01
      2  -0.105424D+01 -0.280830D+01 -0.228474D+02  0.194424D+01  0.850255D+00
      3   0.578244D+00  0.356649D+01  0.251004D+01 -0.451448D+01 -0.572506D+01
               156           157           158           159           160 
      1  -0.432966D+00 -0.170283D+01 -0.481454D+01 -0.193718D+01 -0.200415D+00
      2   0.180217D+01  0.113932D+01  0.239942D+01  0.396745D+01  0.456354D+00
      3   0.362456D+00 -0.351643D+01 -0.180900D+02 -0.279767D+00  0.124525D+00
               161           162           163           164           165 
      1   0.583109D+00 -0.633914D+00  0.251236D+01 -0.173483D+01  0.172225D+01
      2   0.143572D+01 -0.513108D+00  0.756829D+01 -0.378653D+01  0.578094D+01
      3  -0.172963D+01 -0.140600D+01  0.376752D+01 -0.733846D+01  0.984688D+00
               166           167           168           169           170 
      1  -0.201369D+01  0.174906D+01 -0.267683D+01  0.981106D+00 -0.420932D+00
      2  -0.400702D+01  0.395385D+01 -0.513664D+01  0.377392D+01 -0.313766D+01
      3  -0.472936D+01  0.635559D+01 -0.155855D+01  0.103393D+01 -0.327363D+01
               171 
      1   0.134785D+01
      2   0.291268D+01
      3   0.202966D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.389520D-01  0.116344D+02 -0.183328D+02  0.142302D+02 -0.232150D+02
      2  -0.677780D+01 -0.272031D+01  0.886005D+01 -0.526796D+01  0.859420D+01
      3   0.681675D+01 -0.891412D+01  0.947274D+01 -0.896223D+01  0.146208D+02
      4   0.156226D+02 -0.191759D+02  0.581190D+01 -0.265675D+02 -0.140671D+02
      5  -0.205167D+02  0.264978D+01  0.770885D+01  0.198477D+01 -0.357465D+01
      6   0.142946D+01  0.195780D+01 -0.896461D+00  0.267408D+01  0.555482D+01
                 6             7             8             9            10 
      1   0.468532D+01 -0.226658D+02  0.724993D+01  0.141204D+02 -0.891419D+01
      2   0.137543D+01  0.815340D+01  0.335684D+00  0.621116D+01  0.112305D+00
      3  -0.606075D+01  0.145124D+02 -0.758562D+01 -0.203316D+02  0.880189D+01
      4  -0.562650D+01  0.855172D+01 -0.823569D+01  0.796055D+01 -0.333704D+01
      5   0.714089D+01  0.373797D+01  0.691070D+01  0.271519D+02  0.148283D+02
      6  -0.517137D+00  0.434137D+00 -0.572573D+00 -0.101689D+02 -0.411913D+01
                11            12            13            14            15 
      1  -0.445046D+00  0.121879D+02 -0.981934D+00  0.163065D+02  0.266352D+01
      2  -0.221740D+01 -0.780486D+01 -0.102248D+01 -0.212773D+02 -0.362153D+01
      3   0.266245D+01 -0.438308D+01  0.200441D+01  0.497086D+01  0.958012D+00
      4   0.711774D+01 -0.322287D+01  0.144314D+02  0.431682D+01  0.306507D+01
      5  -0.663919D+00 -0.301242D+01 -0.459336D+00  0.339688D+01 -0.149052D+01
      6   0.152449D+00  0.112061D+01  0.232927D+00 -0.559576D+01  0.366329D+01
                16            17            18            19            20 
      1   0.155661D+02  0.354065D+00  0.588283D+00 -0.790213D+01 -0.450633D+01
      2  -0.732793D+01 -0.160950D+01  0.158720D+01  0.110797D+02  0.166293D+00
      3  -0.823821D+01  0.125544D+01 -0.217549D+01 -0.317756D+01  0.434004D+01
      4  -0.516882D+01  0.337788D+01 -0.646256D+00 -0.326294D+01 -0.258302D+01
      5  -0.250660D+01 -0.299075D+00 -0.127080D+02 -0.395598D+01 -0.128861D+01
      6  -0.255581D+00 -0.714234D+00  0.216739D+01  0.318129D+00 -0.632525D+00
                21            22            23            24            25 
      1  -0.959513D+00 -0.382356D+00 -0.406854D+00  0.131167D+01 -0.557441D+01
      2   0.171889D+01 -0.143144D+01 -0.379056D+01  0.562057D+00  0.243470D+01
      3  -0.759379D+00  0.181380D+01  0.419742D+01 -0.187372D+01  0.313971D+01
      4   0.808734D+00 -0.114828D+02 -0.455349D+00 -0.357647D+00  0.379164D+01
      5   0.164830D+01  0.162779D+01  0.476427D+00  0.199527D+01  0.175281D+01
      6  -0.224814D+00 -0.774510D-01  0.301977D+01 -0.299844D+01 -0.546727D+00
                26            27            28            29            30 
      1   0.380015D+01  0.102930D+02 -0.623937D+01  0.103273D+02  0.734888D+00
      2  -0.173798D+01  0.117934D+02  0.124914D+01 -0.570012D+01 -0.476513D+01
      3  -0.206217D+01 -0.220864D+02  0.499024D+01 -0.462715D+01  0.403024D+01
      4   0.267843D+00 -0.116575D+01  0.117277D+02 -0.815821D+01 -0.735980D+01
      5  -0.412499D+00 -0.508400D+00  0.758857D+01 -0.688568D+01 -0.109928D+02
      6   0.262106D+01  0.140319D+01 -0.380740D+01  0.807922D+00 -0.134992D+01
                31            32            33            34            35 
      1   0.172079D+02  0.514263D+01 -0.400954D+01  0.142222D+02 -0.356273D+01
      2  -0.103746D+02 -0.896738D+01  0.898652D+01 -0.837599D+01 -0.266469D+01
      3  -0.683327D+01  0.382475D+01 -0.497698D+01 -0.584617D+01  0.622743D+01
      4  -0.576999D+01 -0.179489D+01 -0.124995D+01 -0.106571D+02  0.690829D+01
      5  -0.155845D+02 -0.787074D+00 -0.176526D+01 -0.901089D+01  0.850706D+00
      6  -0.374421D+01 -0.666073D+01 -0.303855D+01 -0.168994D+01 -0.103473D+01
                36            37            38            39            40 
      1  -0.716536D+01 -0.185206D+02 -0.786928D+01  0.670107D+01 -0.771770D+01
      2   0.457218D+01  0.462781D+01  0.214247D+01 -0.370613D+01  0.383442D+01
      3   0.259318D+01  0.138928D+02  0.572681D+01 -0.299494D+01  0.388328D+01
      4   0.285716D+01 -0.157426D+02 -0.510435D+01  0.633362D+01  0.495614D+01
      5   0.146906D+02  0.672178D+01  0.374402D+01  0.642421D+01  0.768550D+01
      6  -0.562359D+01  0.519597D+01  0.251805D+01  0.114690D+01  0.521914D+01
                41            42            43            44            45 
      1  -0.173293D+02 -0.886545D+00  0.109462D+02  0.167385D+01 -0.450835D+01
      2   0.230132D+02 -0.767695D-01 -0.390172D+01  0.199363D+01 -0.293116D+01
      3  -0.568387D+01  0.963315D+00 -0.704444D+01 -0.366748D+01  0.743951D+01
      4   0.151307D+02  0.707197D+01  0.132301D+02  0.103868D+02  0.521629D+01
      5   0.740966D+01  0.752602D+01  0.998027D+01  0.809115D+01  0.125839D+02
      6   0.884545D+01  0.100362D+02  0.250577D+01  0.100528D+02  0.858515D+01
                46            47            48            49            50 
      1   0.114272D+02  0.475442D+01 -0.119706D+02  0.397242D+01 -0.580996D+01
      2   0.178703D+01 -0.720064D+00  0.237976D+01 -0.112369D+01  0.912971D+01
      3  -0.132142D+02 -0.403435D+01  0.959081D+01 -0.284873D+01 -0.331975D+01
      4   0.489939D+01 -0.131502D+02  0.785454D+01 -0.148111D+02 -0.362927D+01
      5  -0.574471D+01  0.865410D+01 -0.121187D+02  0.756146D+01 -0.188652D+02
      6   0.126724D+02 -0.123354D+02  0.164357D+00 -0.136659D+02 -0.578730D+01
                51            52            53            54            55 
      1   0.444823D+00 -0.108862D+02 -0.889667D+00 -0.636157D+01  0.104845D+02
      2  -0.595989D+00  0.173311D+01 -0.127351D+00 -0.669779D+01 -0.709047D+01
      3   0.151166D+00  0.915308D+01  0.101702D+01  0.130594D+02 -0.339403D+01
      4  -0.112408D+02  0.659349D+01 -0.793619D+01  0.196375D+01  0.570047D+01
      5   0.398793D+01 -0.114523D+02  0.218481D+01  0.115978D+02 -0.147411D+01
      6  -0.121498D+02  0.111079D+01 -0.862748D+01  0.252714D+01  0.335081D+01
                56            57            58            59            60 
      1  -0.114798D+02  0.220347D+01 -0.748050D+01 -0.582559D+01 -0.199200D+01
      2   0.182645D+02 -0.263058D+01  0.133360D+02  0.152872D+02  0.389034D+01
      3  -0.678462D+01  0.427103D+00 -0.585552D+01 -0.946157D+01 -0.189833D+01
      4   0.734138D-01  0.217645D+01  0.656890D+01  0.147421D+02 -0.258139D+01
      5   0.176032D+01  0.230521D+01  0.708186D+00 -0.283381D+01  0.115640D+01
      6  -0.681281D+01  0.117843D+02 -0.545586D+01  0.436582D+01 -0.295264D+01
                61            62            63            64            65 
      1   0.369327D+01 -0.610618D+00  0.479216D+01  0.385807D+02 -0.920229D+01
      2  -0.355590D+01  0.327104D+01 -0.103937D+02 -0.206517D+02  0.268654D+01
      3  -0.137363D+00 -0.266042D+01  0.560151D+01 -0.179290D+02  0.651574D+01
      4   0.262125D+01 -0.233045D+01  0.936187D+01 -0.165807D+02  0.194692D+02
      5   0.391750D+01  0.307635D+01 -0.221234D+01 -0.167549D+02  0.710853D+01
      6   0.108822D+02 -0.718277D+01 -0.705901D+01  0.248004D+01 -0.224618D+01
                66            67            68            69            70 
      1  -0.895563D+01 -0.145165D+02  0.221279D+01  0.128306D+01 -0.146676D+02
      2   0.983493D+01  0.593327D+01  0.510760D+01 -0.287352D+01  0.995639D+01
      3  -0.879299D+00  0.858324D+01 -0.732039D+01  0.159045D+01  0.471121D+01
      4   0.717703D+01  0.175117D+02 -0.178687D+02 -0.846577D+01  0.614393D+01
      5   0.190200D+02  0.768474D+01 -0.850826D+01 -0.736975D+01  0.208795D+02
      6  -0.259122D+01 -0.353312D+01  0.340005D+01  0.760149D+01 -0.244345D+01
                71            72            73            74            75 
      1   0.115368D+00  0.333748D+01  0.542290D+00  0.255871D+00  0.180105D+00
      2  -0.786642D-01 -0.144364D+02 -0.419146D+01  0.269302D+00 -0.193303D+00
      3  -0.367036D-01  0.110989D+02  0.364917D+01 -0.525173D+00  0.131983D-01
      4  -0.123652D+02 -0.101610D+02 -0.202660D-01  0.131776D+01 -0.590933D+00
      5  -0.852185D+01 -0.272933D+02  0.235388D-01  0.981092D-01  0.563993D+01
      6   0.721175D+01  0.475003D+01 -0.377439D+00 -0.994453D-02  0.491201D-01
                76            77            78            79            80 
      1   0.976134D+00 -0.363196D+01 -0.129125D+01  0.994487D+00  0.570521D+00
      2   0.196293D+00  0.759257D-01 -0.183765D+01  0.440532D-01 -0.228888D+01
      3  -0.117243D+01  0.355603D+01  0.312890D+01 -0.103854D+01  0.171836D+01
      4   0.211805D+01 -0.215979D+00  0.816706D-01 -0.423906D+00  0.276938D+00
      5   0.883574D-01 -0.246222D+00 -0.379471D-01  0.513672D+01  0.245948D+00
      6   0.214395D+00  0.511946D+00  0.610743D+01  0.211448D+00  0.475868D+01
                81            82            83            84            85 
      1  -0.194859D+02 -0.809104D+00 -0.372119D+01 -0.205876D+01 -0.540803D+01
      2  -0.161244D+02  0.429775D+01  0.506427D+01  0.179482D+01  0.605393D+01
      3   0.356103D+02 -0.348864D+01 -0.134308D+01  0.263943D+00 -0.645901D+00
      4   0.696027D+00  0.833685D+00  0.357349D+01  0.788438D+00  0.294746D+01
      5   0.107571D+01 -0.146302D+01  0.578335D+00  0.987514D+00  0.120171D+01
      6  -0.315223D+01  0.126802D+01  0.991944D+00  0.732974D+00  0.746046D+00
                86            87            88            89            90 
      1  -0.190878D+02 -0.145082D+01 -0.299138D+01 -0.227802D+01 -0.413710D+01
      2   0.316138D+02  0.390463D+01  0.186723D+01  0.303866D+01  0.297236D+01
      3  -0.125260D+02 -0.245380D+01  0.112415D+01 -0.760639D+00  0.116475D+01
      4  -0.897304D+01 -0.159983D+01  0.518501D+00 -0.154156D+01 -0.106310D+01
      5  -0.161540D+01 -0.297523D+01  0.209157D+01 -0.162891D+01  0.560681D+00
      6   0.542759D+01  0.556315D+01  0.136701D+01  0.705426D+01  0.267497D+01
                91            92            93            94            95 
      1   0.370197D+02  0.157099D+02 -0.267973D+01  0.604748D+01  0.485953D+01
      2  -0.131932D+02 -0.312820D+01  0.272462D+00  0.886477D+00  0.252822D+01
      3  -0.238265D+02 -0.125817D+02  0.240727D+01 -0.693395D+01 -0.738776D+01
      4   0.292283D+02  0.202240D+02 -0.128472D+01  0.129339D+02  0.129242D+02
      5   0.179268D+01  0.133556D+01  0.503408D+01  0.363536D+00  0.775719D+00
      6  -0.125479D+01  0.143514D+00  0.255633D+01  0.265927D+00  0.340688D+00
                96            97            98            99           100 
      1  -0.641223D+00 -0.102189D+02 -0.493606D+01  0.327066D+01 -0.217119D+01
      2  -0.274511D+00  0.312186D+01  0.304368D+00 -0.137144D+01  0.521576D+01
      3   0.915734D+00  0.709701D+01  0.463169D+01 -0.189922D+01 -0.304457D+01
      4  -0.592758D+00 -0.985952D+01 -0.720915D+01  0.451258D+01 -0.575905D+01
      5   0.198878D+01  0.557022D+01  0.310046D+01 -0.200326D+01  0.288581D+01
      6   0.187644D+01  0.349879D+01  0.276132D+01 -0.158189D+01 -0.604665D+01
               101           102           103           104           105 
      1   0.781142D+01 -0.362619D+01  0.565879D+01 -0.148958D+02  0.642353D+01
      2  -0.125499D+02  0.435077D+01 -0.926543D+01  0.233250D+02 -0.878263D+01
      3   0.473850D+01 -0.724574D+00  0.360664D+01 -0.842923D+01  0.235910D+01
      4   0.100894D+02 -0.505478D+01  0.830109D+01 -0.964150D+01  0.443444D+01
      5  -0.333439D+01  0.379413D+01 -0.191575D+01  0.308634D+01 -0.176262D+01
      6   0.879377D+01 -0.725042D+01  0.661525D+01 -0.141983D+02  0.103946D+02
               106           107           108           109           110 
      1  -0.440344D+01  0.974276D+01 -0.845760D+01 -0.117756D+01  0.256548D+01
      2   0.475840D+01 -0.110989D+02  0.650470D+01  0.180516D+01 -0.419012D+01
      3  -0.354961D+00  0.135613D+01  0.195290D+01 -0.627601D+00  0.162464D+01
      4  -0.558954D+01  0.587469D+01 -0.548673D+01 -0.305652D+00  0.302489D+01
      5   0.338144D+01 -0.285579D+01  0.307543D+01 -0.113324D+01 -0.533802D-02
      6  -0.742310D+01  0.144746D+02 -0.125992D+02  0.148387D+01 -0.206056D+01
               111           112           113           114           115 
      1   0.122639D+01  0.106995D+01 -0.527054D+01 -0.297775D+01  0.621297D+00
      2  -0.181865D+01 -0.178174D+01  0.780569D+01  0.450239D+01 -0.152949D+01
      3   0.592262D+00  0.711798D+00 -0.253515D+01 -0.152463D+01  0.908192D+00
      4   0.119395D+01  0.308286D+01 -0.218185D+01 -0.146535D+01  0.336175D+01
      5   0.135953D+01  0.479540D-01 -0.363102D+00 -0.320794D+00  0.731127D+00
      6  -0.422387D+01 -0.165990D+01  0.475929D+01  0.721153D+01 -0.357510D+01
               116           117           118           119           120 
      1  -0.728590D+01 -0.705888D+01  0.359830D+01  0.262391D+01  0.164139D+01
      2   0.972941D+01  0.486839D+01 -0.363741D+01 -0.195456D+01 -0.318036D+01
      3  -0.244352D+01  0.219048D+01  0.391125D-01 -0.669343D+00  0.153897D+01
      4  -0.238132D+01 -0.322738D+01  0.467386D+01  0.792037D+01  0.176278D+01
      5  -0.676029D+00 -0.332178D+00  0.669841D+01  0.451928D+01  0.780239D+01
      6   0.840118D+01  0.177200D+02  0.272049D+01  0.648652D+01  0.225938D+01
               121           122           123           124           125 
      1   0.436702D+01 -0.198165D+01 -0.409078D+01  0.651172D+00 -0.247704D+01
      2  -0.366398D+01  0.116348D+01 -0.528425D+01 -0.174949D+01 -0.220795D+01
      3  -0.703043D+00  0.818175D+00  0.937502D+01  0.109832D+01  0.468499D+01
      4   0.786158D+01  0.151778D+02  0.706343D+01  0.874541D+00  0.420945D+01
      5   0.788456D+01  0.111841D+02  0.998257D+01  0.543517D+01  0.480767D+01
      6   0.690962D+01  0.181810D+02  0.102434D+02  0.212210D+01  0.871497D+01
               126           127           128           129           130 
      1  -0.254996D+01 -0.928080D+01 -0.370974D+01  0.135021D+02 -0.262946D+01
      2  -0.242702D+01 -0.996124D+00  0.136616D+01  0.386501D+01  0.139465D+01
      3   0.497698D+01  0.102769D+02  0.234358D+01 -0.173671D+02  0.123481D+01
      4   0.367133D+01  0.434571D+01  0.249503D+01 -0.299805D+01  0.352979D+01
      5   0.463216D+01 -0.124591D+02 -0.269369D+01  0.575403D+01 -0.277883D+01
      6   0.523449D+01 -0.543652D+01 -0.474817D+01  0.558115D+01 -0.255208D+01
               131           132           133           134           135 
      1  -0.312857D+01  0.281489D+01  0.938683D+01  0.259905D+01 -0.125159D+02
      2   0.834577D+00 -0.336673D+00  0.219762D+01 -0.169496D+00 -0.518919D+01
      3   0.229399D+01 -0.247822D+01 -0.115844D+02 -0.242956D+01  0.177051D+02
      4   0.129180D+01  0.719965D+00 -0.222248D+01  0.331675D+00  0.169309D+01
      5   0.448480D+00  0.169281D+00  0.827975D+01  0.720432D+00 -0.480945D+01
      6  -0.243258D+01  0.605958D+01  0.320888D+01  0.548375D+01 -0.501714D+01
               136           137           138           139           140 
      1   0.114710D+02 -0.410824D+01  0.245750D+01 -0.523944D+01 -0.140076D+01
      2  -0.858400D+01  0.136043D+01 -0.662255D+01  0.179086D+01  0.396223D+01
      3  -0.288705D+01  0.274781D+01  0.416505D+01  0.344857D+01 -0.256147D+01
      4  -0.138831D+02  0.129792D+02 -0.786710D+01  0.138996D+02 -0.145827D+02
      5   0.193319D+02 -0.112364D+02  0.168459D+02 -0.129262D+02  0.129178D+02
      6  -0.103802D+02  0.108633D+02 -0.838627D+01  0.106258D+02 -0.144748D+02
               141           142           143           144           145 
      1   0.317764D+01  0.199611D+01  0.209389D+01 -0.208469D+01  0.124631D+00
      2   0.233130D+01 -0.488383D+01  0.186897D+01 -0.550108D+01 -0.204137D+01
      3  -0.550894D+01  0.288772D+01 -0.396286D+01  0.758576D+01  0.191673D+01
      4   0.906098D+01 -0.537410D+01  0.612259D+01 -0.726153D+01 -0.164516D+01
      5  -0.121321D+02  0.128005D+02 -0.832104D+01  0.124277D+02 -0.241874D+01
      6   0.129630D+02 -0.641300D+01  0.963673D+01 -0.974623D+01  0.132889D+01
               146           147           148           149           150 
      1  -0.210173D+01 -0.452767D+01 -0.318147D+01 -0.237951D+00 -0.309231D+01
      2   0.980674D+00  0.206193D+01  0.150947D+01 -0.620905D+00 -0.167061D+00
      3   0.112105D+01  0.246574D+01  0.167200D+01  0.858857D+00  0.325937D+01
      4   0.259846D+01  0.648867D+00  0.521045D+01 -0.167216D+01 -0.498850D+01
      5   0.555087D+00  0.507660D+01  0.194110D+01 -0.463744D+01 -0.604567D+01
      6   0.243054D+00  0.528330D+00 -0.144066D+01  0.330848D+01  0.778752D+01
               151           152           153           154           155 
      1  -0.713747D+01 -0.279279D+01 -0.144831D+02  0.114828D+02  0.802087D+01
      2   0.718536D+01 -0.284416D+00 -0.180587D+02 -0.312056D+01 -0.305736D+01
      3  -0.478907D-01  0.307721D+01  0.325418D+02 -0.836227D+01 -0.496351D+01
      4   0.213991D+01 -0.641602D+01 -0.607725D+01  0.819509D+01  0.136757D+02
      5   0.142166D+02 -0.561508D+01 -0.429127D+02  0.226553D+00 -0.154486D+01
      6  -0.239228D+01  0.803224D+01  0.122418D+02 -0.179098D+01 -0.243325D+01
               156           157           158           159           160 
      1   0.163693D+01  0.177749D+02  0.103524D+02 -0.110290D+01  0.555408D+01
      2  -0.430167D+00 -0.757281D+01  0.185264D+01  0.180945D+01 -0.198503D+01
      3  -0.120676D+01 -0.102021D+02 -0.122050D+02 -0.706550D+00 -0.356906D+01
      4  -0.561717D+00  0.173346D+02  0.308444D+02 -0.358805D-01  0.271401D+00
      5   0.232354D+01 -0.448817D+01 -0.502159D+00  0.773407D+01  0.327547D+01
      6   0.598810D+00 -0.250884D+01 -0.700996D+01  0.238608D+01  0.119781D+01
               161           162           163           164           165 
      1   0.318677D+00 -0.360219D+00  0.448520D+02 -0.165778D+02  0.710707D+01
      2   0.418781D+00 -0.135226D+01 -0.171552D+02  0.394640D+01 -0.222087D+01
      3  -0.737457D+00  0.171248D+01 -0.276968D+02  0.126314D+02 -0.488620D+01
      4   0.279801D+01  0.325191D+01 -0.247037D+02  0.193030D+02 -0.372121D+01
      5   0.372932D+01 -0.192131D+01  0.317385D+01 -0.145511D+01  0.763273D+01
      6   0.259942D+01  0.681282D+00  0.964976D+00 -0.167944D+01 -0.159929D+01
               166           167           168           169           170 
      1  -0.237584D+02  0.128880D+02 -0.253275D+01  0.166795D+02 -0.494886D+01
      2   0.655086D+01  0.128259D+01 -0.984677D+00 -0.637673D+01  0.438565D-01
      3   0.172076D+02 -0.141706D+02  0.351743D+01 -0.103028D+02  0.490501D+01
      4   0.238407D+02 -0.193585D+02  0.405787D+01 -0.880268D+01  0.786145D+01
      5  -0.626831D+00  0.223785D+01 -0.778133D+01  0.768006D+01 -0.540070D+01
      6  -0.151425D+01  0.339550D+00  0.299589D+01 -0.181314D+01  0.201894D+01
               171 
      1   0.394459D+01
      2  -0.284843D+01
      3  -0.109616D+01
      4  -0.609551D+01
      5   0.425601D+01
      6  -0.114202D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.782733D+02      0.115989D+02      0.129055D+02
   aniso      0.129276D+02      0.191567D+01      0.213147D+01
   xx         0.858969D+02      0.127286D+02      0.141625D+02
   yx        -0.134289D-01     -0.198995D-02     -0.221412D-02
   yy         0.756899D+02      0.112161D+02      0.124796D+02
   zx        -0.264904D+01     -0.392547D+00     -0.436767D+00
   zy         0.189513D+01      0.280830D+00      0.312465D+00
   zz         0.732331D+02      0.108520D+02      0.120745D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.782733D+02      0.115989D+02      0.129055D+02
   aniso      0.129276D+02      0.191567D+01      0.213147D+01
   xx         0.864021D+02      0.128035D+02      0.142458D+02
   yx        -0.422795D+00     -0.626518D-01     -0.697096D-01
   yy         0.721113D+02      0.106858D+02      0.118895D+02
   zx        -0.499588D+00     -0.740312D-01     -0.823709D-01
   zy         0.114949D+01      0.170336D+00      0.189525D+00
   zz         0.763065D+02      0.113075D+02      0.125812D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-25\Freq\RwB97XD\Gen\C5H11N1O2\PIERPA\13-Aug-2021\0\\#
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 THERE IS NO CURE FOR BIRTH AND DEATH SAVE TO ENJOY THE INTERVAL.

                               -- GEORGE SANTAYANA
 Job cpu time:       0 days  2 hours 31 minutes 47.1 seconds.
 Elapsed time:       0 days  0 hours 19 minutes  0.5 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:06:10 2021.
